Amber Archive Oct 2003 by thread
274 messages
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Starting
Wed Oct 01 2003 - 16:53:01 PDT,
Ending
Tue Nov 11 2003 - 14:53:01 PST
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Re: AMBER: improper
ya ya
(Wed Oct 01 2003 - 07:59:16 PDT)
Re: AMBER: improper
Bill Ross
(Wed Oct 01 2003 - 10:21:03 PDT)
Re: AMBER: improper
Bill Ross
(Wed Oct 01 2003 - 10:38:08 PDT)
Re: Re: AMBER: nstlim
uddhavesh bhaskar sonavane
(Wed Oct 01 2003 - 08:32:27 PDT)
Re: Re: AMBER: nstlim
Robert Duke
(Wed Oct 01 2003 - 09:32:48 PDT)
AMBER: Added water and mm_pbsa
Yong-Liang Zhu
(Wed Oct 01 2003 - 10:29:37 PDT)
AMBER: addions/xleap question
FyD
(Wed Oct 01 2003 - 13:39:47 PDT)
Re: AMBER: addions/xleap question
Rhonda Torres
(Wed Oct 01 2003 - 14:10:00 PDT)
Re: AMBER: addions/xleap question
Bill Ross
(Wed Oct 01 2003 - 14:10:44 PDT)
Re: AMBER: addions/xleap question
FyD
(Wed Oct 01 2003 - 14:24:38 PDT)
AMBER: constant pressure in GB
aini.UMDNJ.EDU
(Wed Oct 01 2003 - 18:19:12 PDT)
RE: AMBER: constant pressure in GB
Yong Duan
(Wed Oct 01 2003 - 18:45:04 PDT)
Re: AMBER: constant pressure in GB
David Case
(Thu Oct 02 2003 - 04:53:32 PDT)
Re: AMBER: AMBER quasih question(s)
David Case
(Thu Oct 02 2003 - 04:34:18 PDT)
Re: AMBER: density equilibrium & harmonic restrain
David Case
(Thu Oct 02 2003 - 04:39:05 PDT)
AMBER: regarding trajectory input and output with ptraj or Carnal
Vlad Cojocaru
(Thu Oct 02 2003 - 05:37:19 PDT)
Re: AMBER: regarding trajectory input and output with ptraj or Carnal
David Case
(Thu Oct 02 2003 - 05:54:11 PDT)
AMBER: calculation of LJ 12-6 from .dat file (fwd)
Michal Otyepka
(Thu Oct 02 2003 - 07:53:27 PDT)
Re: AMBER: calculation of LJ 12-6 from .dat file (fwd)
Martin Lepsik
(Fri Oct 03 2003 - 02:53:50 PDT)
Re: AMBER: calculation of LJ 12-6 from .dat file (fwd)-CORRECTION!!!
Martin Lepsik
(Fri Oct 03 2003 - 02:56:07 PDT)
Re: AMBER: regarding trajectory input and output with ptraj or Carnal
Bill Ross
(Thu Oct 02 2003 - 09:28:41 PDT)
AMBER: SHAKE for TIP4P!
Pradipta Bandyopadhyay
(Thu Oct 02 2003 - 16:25:49 PDT)
Re: AMBER: SHAKE for TIP4P!
David Case
(Fri Oct 03 2003 - 00:43:43 PDT)
AMBER: Compiling antechamber on amber 8
Mengjuei Hsieh
(Fri Oct 03 2003 - 03:10:35 PDT)
Re: AMBER: Compiling antechamber on amber 8
Junmei Wang
(Fri Oct 03 2003 - 07:50:01 PDT)
Re: AMBER: Compiling antechamber on amber 8
Mengjuei Hsieh
(Fri Oct 03 2003 - 17:42:32 PDT)
AMBER: H-bond analysis
RAJA SWAMINATHAN
(Fri Oct 03 2003 - 09:11:17 PDT)
RE: AMBER: H-bond analysis
myang
(Fri Oct 03 2003 - 11:08:49 PDT)
AMBER: ibelly
Amber Administration
(Fri Oct 03 2003 - 11:55:02 PDT)
AMBER: surface code in Amber
John Lee
(Sun Oct 05 2003 - 14:13:43 PDT)
Re: AMBER: surface code in Amber
Alexey Onufriev
(Fri Oct 10 2003 - 16:25:45 PDT)
Re[2]: AMBER: surface code in Amber
John Lee
(Sun Oct 26 2003 - 18:06:56 PST)
Re: AMBER: surface code in Amber
David A. Case
(Sun Oct 26 2003 - 22:45:18 PST)
Re[2]: AMBER: surface code in Amber
John Lee
(Mon Oct 27 2003 - 22:53:49 PST)
Re[2]: AMBER: surface code in Amber
Dr. Yong Duan
(Tue Oct 28 2003 - 06:46:32 PST)
Re: AMBER: surface code in Amber
David E. Konerding
(Tue Oct 28 2003 - 08:38:56 PST)
RE: AMBER: surface code in Amber
Yong Duan
(Tue Oct 28 2003 - 09:01:33 PST)
Re: AMBER: surface code in Amber
David A. Case
(Tue Oct 28 2003 - 16:15:33 PST)
Re: AMBER: surface code in Amber
David E. Konerding
(Mon Oct 27 2003 - 07:32:41 PST)
AMBER: output frequency
GUILLERMINA L ESTIU
(Mon Oct 06 2003 - 06:43:26 PDT)
RE: AMBER: output frequency
Yong Duan
(Mon Oct 06 2003 - 07:08:21 PDT)
AMBER: mgbjsb Radii in GBSA
Giulio Rastelli
(Tue Oct 07 2003 - 07:42:34 PDT)
AMBER: Atomic charges and internal H-bond
Martin Lepsik
(Tue Oct 07 2003 - 04:41:19 PDT)
Re: AMBER: Atomic charges and internal H-bond
Jiri Sponer
(Tue Oct 07 2003 - 07:12:27 PDT)
Re: AMBER: Atomic charges and internal H-bond
Martin Lepsik
(Wed Oct 08 2003 - 01:44:21 PDT)
Re: AMBER: Atomic charges and internal H-bond
Piotr Cieplak
(Tue Oct 07 2003 - 10:41:49 PDT)
AMBER: Re:atomic charges and internal H-bond
Pradipta Bandyopadhyay
(Tue Oct 07 2003 - 11:24:18 PDT)
Re: AMBER: Re:atomic charges and internal H-bond
Jiri Sponer
(Tue Oct 07 2003 - 13:48:00 PDT)
Re: AMBER: Re:atomic charges and internal H-bond
Piotr Cieplak
(Tue Oct 07 2003 - 14:36:10 PDT)
Re: AMBER: Re:atomic charges and internal H-bond
Jiri Sponer
(Tue Oct 07 2003 - 15:08:09 PDT)
AMBER: Resp Problem
Vikas Varshney
(Tue Oct 07 2003 - 08:18:39 PDT)
AMBER: Addles
Mark K. Dean
(Wed Oct 08 2003 - 07:46:41 PDT)
Re: AMBER: Addles
xiaolin cheng
(Wed Oct 08 2003 - 08:56:18 PDT)
AMBER: mopac
lil.umbi.umd.edu
(Wed Oct 08 2003 - 09:19:18 PDT)
Re: AMBER: mopac
Junmei Wang
(Wed Oct 08 2003 - 10:15:18 PDT)
AMBER: Compiling AMBER
franck
(Thu Oct 09 2003 - 07:16:17 PDT)
Re: AMBER: Compiling AMBER, ie, number of atoms limit
Scott Brozell
(Thu Oct 09 2003 - 14:30:02 PDT)
Re: AMBER: Compiling AMBER, ie, number of atoms limit
Robert Duke
(Thu Oct 09 2003 - 15:18:27 PDT)
AMBER: question about ewald
Lishan Yao
(Thu Oct 09 2003 - 09:03:44 PDT)
Re: AMBER: question about ewald
Scott Brozell
(Thu Oct 09 2003 - 11:11:21 PDT)
Re: AMBER: question about ewald
darden
(Thu Oct 09 2003 - 13:38:10 PDT)
AMBER: mm_pbsa example
Jory Zmuda
(Thu Oct 09 2003 - 13:35:21 PDT)
Re: AMBER: mm_pbsa example
Rhonda Torres
(Thu Oct 09 2003 - 14:09:33 PDT)
AMBER: Not getting restrt file on running sanders
Vikas Varshney
(Thu Oct 09 2003 - 14:40:15 PDT)
RE: AMBER: Not getting restrt file on running sanders
Asim Okur
(Thu Oct 09 2003 - 14:53:37 PDT)
RE: AMBER: Not getting restrt file on running sanders
Scott Brozell
(Thu Oct 09 2003 - 16:25:11 PDT)
AMBER: Freezing the residues
Vikas Varshney
(Thu Oct 09 2003 - 20:37:11 PDT)
Re: AMBER: Freezing the residues
zhaoxc.puccini.che.pitt.edu
(Fri Oct 10 2003 - 05:30:38 PDT)
Re: AMBER: Freezing the residues
Scott Brozell
(Fri Oct 10 2003 - 12:25:04 PDT)
AMBER: is there a good program to quantitatively analyze hydration effect?
zhaoxc.puccini.che.pitt.edu
(Fri Oct 10 2003 - 05:36:08 PDT)
Re: AMBER: Freezing the residues
Bill Ross
(Fri Oct 10 2003 - 12:43:38 PDT)
AMBER: monte carlo
Vlad Cojocaru
(Fri Oct 10 2003 - 06:40:11 PDT)
Re: AMBER: monte carlo
Andreas Svrcek-Seiler
(Fri Oct 10 2003 - 07:19:41 PDT)
AMBER: force field for hybrid systems
Ioana Cozmuta
(Sun Oct 12 2003 - 10:58:41 PDT)
AMBER: input/output error
Dalmaris, John
(Fri Oct 10 2003 - 09:32:15 PDT)
Re: AMBER: input/output error
Scott Brozell
(Fri Oct 10 2003 - 15:10:08 PDT)
AMBER: nmanal projection
Qiang Lu
(Fri Oct 10 2003 - 15:22:48 PDT)
Re: AMBER: nmanal projection
David A. Case
(Tue Oct 14 2003 - 15:11:29 PDT)
AMBER: MeCNBOX & EWALD bomb
northrop.chem.ucla.edu
(Fri Oct 10 2003 - 17:31:46 PDT)
Re: AMBER: MeCNBOX & EWALD bomb
Jiten
(Fri Oct 10 2003 - 20:29:04 PDT)
AMBER: Re:mm_pbsa problem
Itziar Maestre Asenjo
(Mon Oct 13 2003 - 02:18:38 PDT)
Re: AMBER: MeCNBOX & EWALD bomb
David A. Case
(Tue Oct 14 2003 - 15:12:42 PDT)
AMBER: Water as part of protein in mm_pbsa calculation
Yong-Liang Zhu
(Sat Oct 11 2003 - 20:20:12 PDT)
AMBER: problem with pdb files
Mithun Mitra
(Sun Oct 12 2003 - 13:12:45 PDT)
Re: AMBER: problem with pdb files
Vlad Cojocaru
(Mon Oct 13 2003 - 01:35:04 PDT)
Re: AMBER: problem with pdb files
Bill Ross
(Mon Oct 13 2003 - 10:12:41 PDT)
AMBER: sander: vlimit problem
Vikas Varshney
(Sun Oct 12 2003 - 19:19:41 PDT)
Re: AMBER: sander: vlimit problem
David A. Case
(Tue Oct 14 2003 - 15:15:02 PDT)
Re: AMBER: sander: vlimit problem
Bill Ross
(Tue Oct 14 2003 - 15:23:59 PDT)
AMBER: Reverse TI run
Martin Lepsik
(Mon Oct 13 2003 - 09:55:03 PDT)
Re: AMBER: Reverse TI run
Martin Lepsik
(Tue Oct 14 2003 - 06:02:22 PDT)
Re: AMBER: Reverse TI run
Michael Crowley
(Wed Oct 15 2003 - 02:55:39 PDT)
AMBER: mm_pbsa crg file
kbyun.wesleyan.edu
(Mon Oct 13 2003 - 10:24:15 PDT)
Re: AMBER: mm_pbsa crg file
kbyun.wesleyan.edu
(Tue Oct 14 2003 - 07:09:35 PDT)
AMBER: mm_pbsa rna/dna charges
kbyun.wesleyan.edu
(Mon Oct 13 2003 - 13:45:37 PDT)
AMBER: antechamber
lil.umbi.umd.edu
(Mon Oct 13 2003 - 16:30:25 PDT)
Re: AMBER: antechamber
Bill Ross
(Mon Oct 13 2003 - 17:38:24 PDT)
AMBER: Amber charge problem
Yuhui Cheng
(Mon Oct 13 2003 - 17:25:58 PDT)
Re: AMBER: Amber charge problem
Bill Ross
(Mon Oct 13 2003 - 18:21:00 PDT)
AMBER: running sander_classic on multiple processors
Richard Smith
(Tue Oct 14 2003 - 06:48:23 PDT)
RE: AMBER: running sander_classic on multiple processors
Richard Smith
(Wed Oct 15 2003 - 12:09:57 PDT)
AMBER: mm_pbsa with amber7
Itziar Maestre Asenjo
(Tue Oct 14 2003 - 09:22:18 PDT)
AMBER: infinitely long DNA & moil-view?
Endres, Robert G.
(Tue Oct 14 2003 - 11:57:43 PDT)
Re: AMBER: infinitely long DNA & moil-view?
Carlos Simmerling
(Tue Oct 14 2003 - 12:18:30 PDT)
RE: AMBER: infinitely long DNA & moil-view?
Yong Duan
(Tue Oct 14 2003 - 13:15:29 PDT)
Re: AMBER: infinitely long DNA & moil-view?
bishop
(Tue Oct 14 2003 - 12:24:52 PDT)
RE: AMBER: infinitely long DNA & moil-view?
Bill Ross
(Tue Oct 14 2003 - 13:36:56 PDT)
AMBER: 'vlimit exceeded'
Vikas Varshney
(Tue Oct 14 2003 - 12:36:19 PDT)
AMBER: tru64 alpha
Mu Yuguang (Dr)
(Tue Oct 14 2003 - 18:19:06 PDT)
RE: AMBER: tru64 alpha
Mu Yuguang (Dr)
(Wed Oct 15 2003 - 00:07:45 PDT)
Re: AMBER: tru64 alpha
David A. Case
(Wed Oct 15 2003 - 07:25:03 PDT)
Re: AMBER: tru64 alpha
Robert Duke
(Thu Oct 16 2003 - 07:17:00 PDT)
RE: AMBER: tru64 alpha
Bill Ross
(Wed Oct 15 2003 - 07:38:45 PDT)
Re: AMBER: tru64 alpha
Robert Duke
(Wed Oct 15 2003 - 19:51:20 PDT)
RE: AMBER: tru64 alpha
Mu Yuguang (Dr)
(Wed Oct 15 2003 - 19:59:29 PDT)
Re: AMBER: tru64 alpha
Robert Duke
(Wed Oct 15 2003 - 20:41:57 PDT)
RE: AMBER: tru64 alpha
Mu Yuguang (Dr)
(Thu Oct 16 2003 - 17:40:56 PDT)
Re: AMBER: tru64 alpha
Robert Duke
(Thu Oct 16 2003 - 18:18:41 PDT)
Re: AMBER: tru64 alpha
Robert Duke
(Thu Oct 16 2003 - 18:27:27 PDT)
RE: AMBER: tru64 alpha
Yong Duan
(Thu Oct 16 2003 - 19:00:04 PDT)
RE: AMBER: tru64 alpha
Mu Yuguang (Dr)
(Thu Oct 16 2003 - 18:52:41 PDT)
Re: AMBER: tru64 alpha
Robert Duke
(Thu Oct 16 2003 - 19:50:08 PDT)
RE: AMBER: tru64 alpha
Mu Yuguang (Dr)
(Thu Oct 16 2003 - 19:08:14 PDT)
RE: AMBER: tru64 alpha
Yong Duan
(Fri Oct 17 2003 - 04:53:39 PDT)
AMBER: Restraints to maintain base pair planarity
Mahadevan Seetharaman
(Tue Oct 14 2003 - 20:10:29 PDT)
Re: AMBER: Restraints to maintain base pair planarity
David A. Case
(Wed Oct 15 2003 - 07:18:10 PDT)
Re: AMBER: Restraints to maintain base pair planarity
Andreas Svrcek-Seiler
(Wed Oct 15 2003 - 09:51:12 PDT)
AMBER: a problem with xleap
Ye Mei
(Wed Oct 15 2003 - 01:03:36 PDT)
Re: AMBER: a problem with xleap
David A. Case
(Wed Oct 15 2003 - 07:31:06 PDT)
AMBER: STREAM problems : segmentation fault with CARNAL
Jean-François Taly
(Wed Oct 15 2003 - 03:03:35 PDT)
Re: Re: AMBER: a problem with xleap
Ye Mei
(Wed Oct 15 2003 - 18:34:51 PDT)
Re: AMBER: a problem with xleap
Scott Brozell
(Thu Oct 16 2003 - 11:19:29 PDT)
AMBER: charmm force field in amber
Hyonseok Hwang
(Thu Oct 16 2003 - 11:05:36 PDT)
RE: AMBER: charmm force field in amber
myang
(Thu Oct 16 2003 - 13:57:47 PDT)
Re: AMBER: a problem with xleap
Bill Ross
(Thu Oct 16 2003 - 11:22:42 PDT)
AMBER: problem in tleap
aini.UMDNJ.EDU
(Fri Oct 17 2003 - 08:41:27 PDT)
Re: AMBER: problem in tleap
David A. Case
(Fri Oct 17 2003 - 08:59:27 PDT)
Re: AMBER: problem in tleap
aini.UMDNJ.EDU
(Fri Oct 24 2003 - 12:23:33 PDT)
Re: AMBER: problem in tleap
Scott Brozell
(Fri Oct 24 2003 - 19:05:33 PDT)
Re: AMBER: problem in tleap
David A. Case
(Sat Oct 25 2003 - 20:56:29 PDT)
AMBER: Implicit precision in sander vs architecture
Teletchéa Stéphane
(Fri Oct 17 2003 - 08:42:41 PDT)
Re: AMBER: Implicit precision in sander vs architecture
David A. Case
(Fri Oct 17 2003 - 09:05:15 PDT)
Re: AMBER: Implicit precision in sander vs architecture
Teletchéa Stéphane
(Fri Oct 17 2003 - 09:15:13 PDT)
RE: AMBER: Implicit precision in sander vs architecture
Yong Duan
(Fri Oct 17 2003 - 09:30:31 PDT)
Re: AMBER: Implicit precision in sander vs architecture
David E. Konerding
(Fri Oct 17 2003 - 10:05:14 PDT)
Re: AMBER: Implicit precision in sander vs architecture
Teletchéa Stéphane
(Mon Oct 20 2003 - 01:45:04 PDT)
Re: AMBER: Implicit precision in sander vs architecture
Robert Duke
(Mon Oct 20 2003 - 06:01:47 PDT)
AMBER: ECC vs non-ECC (non-amber issue)
Yong Duan
(Mon Oct 20 2003 - 19:04:37 PDT)
Re: AMBER: ECC vs non-ECC (non-amber issue)
Robert Duke
(Mon Oct 20 2003 - 19:40:24 PDT)
Re: AMBER: Implicit precision in sander vs architecture
David A. Case
(Mon Oct 20 2003 - 17:13:15 PDT)
Re: AMBER: Implicit precision in sander vs architecture
Bill Ross
(Fri Oct 17 2003 - 11:10:46 PDT)
Re: AMBER: Implicit precision in sander vs architecture
Amber Administration
(Mon Oct 20 2003 - 16:18:02 PDT)
Re: AMBER: Implicit precision in sander vs architecture
Robert Duke
(Mon Oct 20 2003 - 18:06:22 PDT)
Re: AMBER: Implicit precision in sander vs architecture
Teletchéa Stéphane
(Tue Oct 21 2003 - 01:42:54 PDT)
AMBER: a question
Pingna Xu
(Fri Oct 17 2003 - 14:01:12 PDT)
AMBER: ibelly in AMBER 6
Qing Zhang
(Fri Oct 17 2003 - 15:32:21 PDT)
Re: AMBER: ibelly in AMBER 6
David A. Case
(Fri Oct 17 2003 - 17:51:29 PDT)
Re: AMBER: ibelly in AMBER 6
David A. Case
(Sat Oct 18 2003 - 09:48:16 PDT)
AMBER: torsional restraints for groups of atoms
Samy Name_removed_after_user_request
(Sun Oct 19 2003 - 10:42:59 PDT)
Re: AMBER: torsional restraints for groups of atoms
David A. Case
(Wed Oct 22 2003 - 17:00:16 PDT)
Re: AMBER: torsional restraints for groups of atoms
xiaolin cheng
(Wed Oct 22 2003 - 17:30:33 PDT)
Re: AMBER: a question
David A. Case
(Fri Oct 17 2003 - 15:36:08 PDT)
AMBER: one more question
Pingna Xu
(Sat Oct 18 2003 - 11:01:32 PDT)
RE: AMBER: one more question
myang
(Sat Oct 18 2003 - 11:51:33 PDT)
AMBER: carnal
Frederico.Miranda.ibmb.uib.no
(Sun Oct 19 2003 - 12:48:06 PDT)
RE: AMBER: carnal
Yong Duan
(Sun Oct 19 2003 - 13:00:11 PDT)
AMBER: more questions about igb
Pingna Xu
(Sun Oct 19 2003 - 20:54:49 PDT)
AMBER: stable protein
Do Anh Tuan
(Mon Oct 20 2003 - 10:30:45 PDT)
Re: AMBER: stable protein
Carlos Simmerling
(Mon Oct 20 2003 - 10:48:03 PDT)
Re: AMBER: more questions about igb
David A. Case
(Mon Oct 20 2003 - 16:47:35 PDT)
AMBER: what is the unit for the energy calculated from MM_PBSA?
zhaoxc.puccini.che.pitt.edu
(Mon Oct 20 2003 - 18:08:51 PDT)
RE: AMBER: what is the unit for the energy calculated from MM_PBSA?
Rhonda Torres
(Mon Oct 20 2003 - 18:19:09 PDT)
AMBER: memory SC45
Mu Yuguang (Dr)
(Mon Oct 20 2003 - 19:39:29 PDT)
Re: AMBER: memory SC45
Robert Duke
(Mon Oct 20 2003 - 20:17:25 PDT)
RE: AMBER: memory SC45
Mu Yuguang (Dr)
(Mon Oct 20 2003 - 20:46:50 PDT)
Re: AMBER: memory SC45
Robert Duke
(Tue Oct 21 2003 - 05:55:22 PDT)
Re: AMBER: memory SC45
Robert Duke
(Tue Oct 21 2003 - 06:20:59 PDT)
RE: AMBER: memory SC45
Bill Ross
(Mon Oct 20 2003 - 21:09:01 PDT)
RE: AMBER: memory SC45
Mu Yuguang (Dr)
(Tue Oct 21 2003 - 18:19:45 PDT)
Re: AMBER: memory SC45
Robert Duke
(Tue Oct 21 2003 - 19:12:31 PDT)
Re: AMBER: memory SC45
Bill Ross
(Mon Oct 20 2003 - 20:19:37 PDT)
AMBER: how to mend the peptide with missing residues?
Ye Mei
(Tue Oct 21 2003 - 08:07:14 PDT)
RE: AMBER: how to mend the peptide with missing residues?
Yong Duan
(Tue Oct 21 2003 - 08:15:53 PDT)
AMBER: frozen x unfrozen
Herbert Georg
(Tue Oct 21 2003 - 12:04:44 PDT)
Re: AMBER: frozen x unfrozen
David A. Case
(Wed Oct 22 2003 - 16:58:41 PDT)
Re: AMBER: frozen x unfrozen
Herbert Georg
(Thu Oct 23 2003 - 07:25:20 PDT)
AMBER: frozen x unfrozen and the gibbs tragedy
David Smith
(Thu Oct 23 2003 - 08:56:00 PDT)
Re: AMBER: frozen x unfrozen
Bill Ross
(Tue Oct 21 2003 - 12:52:55 PDT)
AMBER: antechamber and bond type
Herbert Georg
(Wed Oct 22 2003 - 05:56:15 PDT)
Re: AMBER: antechamber and bond type
David A. Case
(Sat Oct 25 2003 - 19:49:05 PDT)
AMBER: Simulation of small protein
Endres, Robert G.
(Thu Oct 23 2003 - 08:52:52 PDT)
Re: AMBER: Simulation of small protein
Carlos Simmerling
(Thu Oct 23 2003 - 09:13:09 PDT)
RE: AMBER: Simulation of small protein
Endres, Robert G.
(Thu Oct 23 2003 - 10:27:45 PDT)
AMBER: Simulation of small protein (MD Display tips)
Chris Moth
(Fri Oct 24 2003 - 11:56:38 PDT)
Re: AMBER: Simulation of small protein
Carlos Simmerling
(Thu Oct 23 2003 - 15:59:58 PDT)
RE: AMBER: Simulation of small protein
Yong Duan
(Thu Oct 23 2003 - 18:11:02 PDT)
RE: AMBER: Simulation of small protein
Endres, Robert G.
(Thu Oct 23 2003 - 18:28:21 PDT)
RE: AMBER: Simulation of small protein
Yong Duan
(Thu Oct 23 2003 - 18:51:12 PDT)
AMBER: correlated motion
Jory L. Zmuda
(Thu Oct 23 2003 - 11:17:01 PDT)
AMBER: mddisplay
Samy Name_removed_after_user_request
(Thu Oct 23 2003 - 13:57:37 PDT)
AMBER: mddisplay
Chris Moth
(Fri Oct 24 2003 - 14:22:18 PDT)
AMBER: SHAKE question
Herbert Georg
(Thu Oct 23 2003 - 15:17:45 PDT)
Re: AMBER: SHAKE question
Bill Ross
(Thu Oct 23 2003 - 15:24:20 PDT)
AMBER: carnal iteration deviation from original crd file
Dalmaris, John
(Fri Oct 24 2003 - 04:11:36 PDT)
Re: AMBER: carnal iteration deviation from original crd file
Vlad Cojocaru
(Fri Oct 24 2003 - 04:32:17 PDT)
RE: AMBER: carnal iteration deviation from original crd file
Dalmaris, John
(Fri Oct 24 2003 - 05:29:28 PDT)
Re: AMBER: carnal iteration deviation from original crd file
Vlad Cojocaru
(Fri Oct 24 2003 - 05:42:24 PDT)
Re: AMBER: carnal iteration deviation from original crd file
aini.UMDNJ.EDU
(Fri Oct 24 2003 - 06:11:30 PDT)
RE: AMBER: carnal iteration deviation from original crd file
Bill Ross
(Fri Oct 24 2003 - 08:35:53 PDT)
AMBER: prmtop file format
Herbert Georg
(Fri Oct 24 2003 - 07:37:42 PDT)
RE: AMBER: prmtop file format
Yong Duan
(Fri Oct 24 2003 - 08:05:35 PDT)
Re: AMBER: prmtop file format
Herbert Georg
(Fri Oct 24 2003 - 11:51:50 PDT)
RE: AMBER: prmtop file format
Yong Duan
(Fri Oct 24 2003 - 12:19:16 PDT)
Re: AMBER: carnal iteration deviation from original crd file
Bill Ross
(Fri Oct 24 2003 - 08:31:17 PDT)
RE: AMBER: carnal iteration deviation from original crd file
John
(Mon Oct 27 2003 - 17:05:28 PST)
AMBER: Pressure in NVT ensemble
Shiang-Tai Lin
(Fri Oct 24 2003 - 10:44:21 PDT)
Re: AMBER: Pressure in NVT ensemble
David A. Case
(Sat Oct 25 2003 - 20:16:37 PDT)
Re: AMBER: Pressure in NVT ensemble
Shiang-Tai Lin
(Mon Oct 27 2003 - 09:48:48 PST)
AMBER: RMSD and Radius of Gyration
Endres, Robert G.
(Sat Oct 25 2003 - 15:24:07 PDT)
Re: AMBER: RMSD and Radius of Gyration
Carlos Simmerling
(Sat Oct 25 2003 - 16:28:28 PDT)
RE: AMBER: RMSD and Radius of Gyration
Yong Duan
(Sat Oct 25 2003 - 18:40:07 PDT)
AMBER: MD simulation: enzyme and its substrate
Do Anh Tuan
(Sat Oct 25 2003 - 21:51:20 PDT)
AMBER: comparing versions 6.0 and 7.0 of AMBER
Therese Malliavin
(Mon Oct 27 2003 - 01:30:21 PST)
AMBER: amber 7 for industrial application
Jose Gallego
(Mon Oct 27 2003 - 05:18:16 PST)
Re: AMBER: amber 7 for industrial application
David A. Case
(Mon Oct 27 2003 - 22:21:35 PST)
RE: AMBER: amber 7 for industrial application
Jose Gallego
(Tue Oct 28 2003 - 06:45:19 PST)
RE: AMBER: amber 7 for industrial application
Junmei Wang
(Tue Oct 28 2003 - 07:58:43 PST)
RE: AMBER: amber 7 for industrial application
Bayly, Christopher
(Wed Oct 29 2003 - 08:45:27 PST)
AMBER: solute images
Sandro Fornili
(Mon Oct 27 2003 - 07:28:34 PST)
Re: AMBER: solute images
Scott Brozell
(Mon Oct 27 2003 - 12:39:21 PST)
AMBER: Implicit MD simulations in Amber7
Joey Harriman
(Mon Oct 27 2003 - 10:53:01 PST)
Re: AMBER: Implicit MD simulations in Amber7
Scott Brozell
(Mon Oct 27 2003 - 12:20:14 PST)
AMBER: Removal of Rotational and Translational Motion in AMBER6
Richard Smith
(Mon Oct 27 2003 - 12:51:59 PST)
AMBER: aminoacid mutation
Ioana Cozmuta
(Mon Oct 27 2003 - 16:46:13 PST)
RE: AMBER: aminoacid mutation
Yong Duan
(Mon Oct 27 2003 - 18:09:02 PST)
RE: AMBER: aminoacid mutation
Ioana Cozmuta
(Tue Oct 28 2003 - 12:25:53 PST)
Re: AMBER: aminoacid mutation
Osmar Norberto de Souza
(Tue Oct 28 2003 - 12:38:00 PST)
AMBER: aminoacid mutation
Wayne Dawson
(Mon Oct 27 2003 - 21:47:25 PST)
RE: AMBER: aminoacid mutation
Endres, Robert G.
(Mon Oct 27 2003 - 19:02:15 PST)
RE: AMBER: aminoacid mutation
Bill Ross
(Mon Oct 27 2003 - 21:09:23 PST)
RE: AMBER: aminoacid mutation
Sivakolundu, Sivashankar
(Tue Oct 28 2003 - 07:43:38 PST)
Re: AMBER: aminoacid mutation
Amber Administration
(Tue Oct 28 2003 - 14:34:47 PST)
AMBER: SC45
Mu Yuguang (Dr)
(Mon Oct 27 2003 - 17:12:29 PST)
AMBER: Radius of Gyration and RMSD
Jagannadh B
(Tue Oct 28 2003 - 01:36:55 PST)
RE: AMBER: Radius of Gyration and RMSD
Endres, Robert G.
(Tue Oct 28 2003 - 06:36:27 PST)
RE: AMBER: Radius of Gyration and RMSD
Bill Ross
(Tue Oct 28 2003 - 09:21:10 PST)
AMBER: how to measure the minor groove widths of a DNA?
zhaoxc.puccini.che.pitt.edu
(Tue Oct 28 2003 - 09:16:06 PST)
Re: AMBER: how to measure the minor groove widths of a DNA?
Peter Gannett
(Tue Oct 28 2003 - 11:43:22 PST)
Re: AMBER: how to measure the minor groove widths of a DNA?
Thomas E. Cheatham, III
(Wed Oct 29 2003 - 09:31:09 PST)
AMBER: ibelly problem
Vikas Varshney
(Tue Oct 28 2003 - 11:34:00 PST)
Re: AMBER: ibelly problem
Thomas E. Cheatham, III
(Wed Oct 29 2003 - 09:23:12 PST)
AMBER: Installation Problem, xleap can't load pdb files
Jonathan Neidigh
(Tue Oct 28 2003 - 15:19:59 PST)
Re: AMBER: Installation Problem, xleap can't load pdb files
Jonathan Neidigh
(Wed Oct 29 2003 - 07:54:18 PST)
AMBER: mddisplay
Samy Name_removed_after_user_request
(Tue Oct 28 2003 - 16:21:04 PST)
AMBER: mddisplay
Chris Moth
(Thu Oct 30 2003 - 10:29:12 PST)
RE: AMBER: mddisplay
Kristina Furse
(Tue Oct 28 2003 - 16:48:30 PST)
AMBER: reduce box and delete excess solvent
Endres, Robert G.
(Wed Oct 29 2003 - 11:31:52 PST)
AMBER: MD simulation: enzyme and its substrate
Do Anh Tuan
(Wed Oct 29 2003 - 11:52:24 PST)
Re: AMBER: MD simulation: enzyme and its substrate!!
Pradipta Bandyopadhyay
(Wed Oct 29 2003 - 12:26:17 PST)
AMBER: JAC on NCSA titan (Itanium 2 833MHZ)
Qiang Lu
(Wed Oct 29 2003 - 14:09:56 PST)
AMBER:
wangf2
(Thu Oct 30 2003 - 08:00:15 PST)
Re: AMBER:
David A. Case
(Thu Oct 30 2003 - 09:23:12 PST)
AMBER: minimize a covalently bounded protein-ligand complex
Eric Hu
(Thu Oct 30 2003 - 15:36:53 PST)
Re: AMBER: minimize a covalently bounded protein-ligand complex
David A. Case
(Thu Oct 30 2003 - 15:50:11 PST)
AMBER: PMEMD 3.1 Release - High Scalability Update to PMEMD
Robert Duke
(Fri Oct 31 2003 - 07:40:37 PST)
AMBER: What does this error message mean?
nie beining
(Fri Oct 31 2003 - 07:34:40 PST)
Re: AMBER: What does this error message mean?
Ioana Cozmuta
(Fri Oct 31 2003 - 07:46:46 PST)
Re: AMBER: What does this error message mean?
Jose Ramon Blas
(Fri Oct 31 2003 - 16:29:19 PST)
Re: AMBER: What does this error message mean?
nie beining
(Fri Oct 31 2003 - 09:41:27 PST)
AMBER: large file for carnal
volodya
(Sat Oct 04 2003 - 10:12:37 PDT)
Re: AMBER: large file for carnal
volodya
(Sun Oct 05 2003 - 04:23:44 PDT)
Re: AMBER: large file for carnal
volodya
(Tue Oct 07 2003 - 05:52:04 PDT)
AMBER: RMSd per residue
volodya
(Tue Oct 07 2003 - 05:58:20 PDT)
Re: AMBER: Protein Rotation
volodya
(Sun Oct 12 2003 - 06:40:07 PDT)
Last message date
:
Tue Nov 11 2003 - 14:53:01 PST
Archived on
: Fri Nov 22 2024 - 05:53:18 PST
274 messages
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