Amber Archive Jun 2003 by date

184 messages: Starting Mon Jun 02 2003 - 01:53:01 PDT, Ending Sun Jun 29 2003 - 16:53:01 PDT
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Sunday, 1 June 2003
- Re: information David A. Case
- Re: IR6 and makeDIST-RST David A. Case
- Re: antechamber read gaussian file David A. Case
- HGH, IGF-1 Supply fsdjklfdsf.ddhdf.com
- HGH, IGF-1 Supply fsdjklfdsf.ddhdf.com
Monday, 2 June 2003
- EGB problem in MMPBSA Obdulia Rabal
- Need help recompiling Peter Anderson
- Install Amber7 in linux cluster Wen Li
- Re: Install Amber7 in linux cluster Viktor Hornak
- Re: Need help recompiling caldwell.heimdal.compchem.ucsf.edu
- run sander? quch quch
- Re: run sander? David A. Case
- Re: run sander? quch quch
Tuesday, 3 June 2003
- pol_h Giulio Rastelli
- MGB RADII PARAMETRIZATION Obdulia Rabal
- Mg++ polarizability Robert Duke
- Re: run sander? Michael Crowley
- Re: pol_h David A. Case
- Nancy's leaving caldwell.heimdal.compchem.ucsf.edu
Wednesday, 4 June 2003
- solventbox at constant pressure Petrodler.aol.com
- angle violation in SANDER simulation XU Xingfu
- keeping pdb residues numbers ? GUILBAUD Philippe 153683
- belly vs. position restraints Peter Anderson
- Re: solventbox at constant pressure David A. Case
- Re: angle violation in SANDER simulation David A. Case
- Re: belly vs. position restraints David A. Case
- Re: keeping pdb residues numbers ? David A. Case
Thursday, 5 June 2003
- RDPARM problems (ptraj) Sophia Kondratova
- PROBLEM WITH LIBRARY Frederico.Miranda.ibmb.uib.no
- constant volume Shuang Ding
Friday, 6 June 2003
- unit of output velocity Yuguang Mu
- Re: unit of output velocity Holger Gohlke
- Re: unit of output velocity Satish Kumar
- Re: unit of output velocity Satish Mummadi
- Re: unit of output velocity Andreas Svrcek-Seiler
- Q) vdw radii & GBSA error Sukjoon Yoon
- Re: constant volume David A. Case
Sunday, 8 June 2003
- how to use profec??? sxzheng
- mm_pbsa error message chernhoe
- Re: mm_pbsa error message Holger Gohlke
- Amber Installation on Octane Joseph Maxwell
Monday, 9 June 2003
- VdW in FEP ENikitina
- May I get you help from new user of amber? Wu Yingliang
- Re: May I get you help from new user of amber? Guanglei Cui
- Re: VdW in FEP David A. Case
- RE: May I get you help from new user of amber? Yong Duan
- Re: May I get you help from new user of amber? Satish Mummadi
- Re: May I get you help from new user of amber?(xmkmf) Satish Kumar
- saving trajectory of solute only Peter Anderson
- Re: saving trajectory of solute only Carlos Simmerling
- Re: saving trajectory of solute only David A. Case
- shake problem? Shuang Ding
Tuesday, 10 June 2003
- helix movement Bimo Ario Tejo
- Re: helix movement Yuguang Mu
- Re: helix movement Bimo Ario Tejo
- Re: VdW in FEP ENikitina
- PME Yuguang Mu
- Re: helix movement Andreas Svrcek-Seiler
- Re: helix movement Bimo Ario Tejo
- helix axis for A-RNA Vlad Cojocaru
- Re: helix axis for A-RNA M. L. Dodson
- Superimposed trajectory Filip Razga
- Re: Superimposed trajectory David A. Case
- Problem in separating LES copies into different trajectory Sameer P. Kawatkar
- Re: Problem in separating LES copies into different trajectory Viktor Hornak
- A question of time Darren Davies
- Re: A question of time David A. Case
- restart MD Shuang Ding
- GB model MF Yang
- Minimization does not converge. Javier Cuervo
- Re: any tool to know what functions are being called while sander is being run?? Satish Mummadi
- Re: Minimization does not converge. David A. Case
- New location for the Amber web site David A. Case
Wednesday, 11 June 2003
- PME Yuguang Mu
- delphi on linux chernhoe
- Re: helix movement Yuguang Mu
- vlimit exceeded when sander calculate free energies using TI zsx
- any tool to know what functions are being called while sander is being run?? Satish Mummadi
- Re: PME darden
- Re: any tool to know what functions are being called while sander is being run?? Guanglei Cui
- quasih problem Yang, Mingfeng
- Re: PME darden
- Re: quasih problem David A. Case
- Re: vlimit exceeded when sander calculate free energies using TI David A. Case
- calculated b-factor higher than x-ray Bimo Ario Tejo
- which AMBER program to use to get the e-density output? salinthip thipayang
Thursday, 12 June 2003
- bugfix ptraj-6.4 (need to confirm) Bimo Ario Tejo
- jarrod Jarrod Wesley Barnes
- Re: jarrod Holger Gohlke
- install problem Dave S Walker
- Re: install problem David A. Case
- Re: install problem Dave S Walker
Friday, 13 June 2003
- Re: jarrod Matheus Froeyen
- glycam force field with amber PSR04996.mailstudenti.unimi.it
- Re: glycam force field with amber David A. Case
- Problem with a library Frederico.Miranda.ibmb.uib.no
- Re: Problem with a library David A. Case
Saturday, 14 June 2003
- parallel sander jobs die with error: "MPI_COMM_RANK : Null communicator" chris switzer
Monday, 16 June 2003
- can you give me more advice about: vlimit exceeded when sander calculate free energies using TI sxzheng
- Re: can you give me more advice about: vlimit exceeded when sander calculate free energies using TI David A. Case
- Medical Imaging Risk & Reward -- Medical Imaging Consultant Radiation Aware
Tuesday, 17 June 2003
- LEAP compiling problem yuann
- Re: LEAP compiling problem David A. Case
- Re: LEAP compiling problem David A. Case
- CCL: Amber free energy equation Daquan Gao
- AMBER7 on linux cluster Venkata S Koppuravuri
- Re: AMBER7 on linux cluster Carlos Simmerling
- new tutorial available: introduction to ptraj David A. Case
- Sander error Yuhui Cheng
- Re: Sander error Natasja Brooijmans
- Error in minimization using sander_classic of AMBER6 dicksmit.umich.edu
- web link for PLEP is not available. Margaret Shun Cheung
- Re: Error in minimization using sander_classic of AMBER6 David A. Case
- Problem with LES topology file Courtney Stanton
- Re: Problem with LES topology file Carlos Simmerling
- Re: LEAP compiling problem yuann
Wednesday, 18 June 2003
- Flag for antechamber Nick Polfer
- VdW in FEP ENikitina
- mpirun problem: no rsh Peter Anderson
- Re: mpirun problem: no rsh Carlos Simmerling
- Re: mpirun problem: no rsh Michael Crowley
- help on solvatecap Mao Xiang
- debug sander Andrew Petersen
Thursday, 19 June 2003
- Re: debug sander Satish Mummadi
- RE: debug sander Yong Duan
- constraint + restraint Jose Ramon Blas
- Re: constraint + restraint David A. Case
Friday, 20 June 2003
- NOESY restraints Teletchéa Stéphane
- Re: AMBER7 on linux cluster Venkata S Koppuravuri
- Re: AMBER7 on linux cluster Carlos Simmerling
- AMBER question David
- perl question Ioana Cozmuta
- mm_pbsa problem Peter Anderson
- Re: NOESY restraints David A. Case
- Re: AMBER question David A. Case
- RE: AMBER7 on linux cluster Yong Duan
- Re: mm_pbsa problem Holger Gohlke
- Question about defining force field FUNG WAI KEUNG
Saturday, 21 June 2003
- Re: NOESY restraints Steph
Sunday, 22 June 2003
- Problem with XLEaP in Mandrake 9.1 Karthikeyan Pasupathy
- RE: Problem with XLEaP in Mandrake 9.1 Ross Walker
- Re: Problem with XLEaP in Mandrake 9.1 CUI, Guanglei
- Re: Problem with XLEaP in Mandrake 9.1 John Bushnell
- 1-4 vdw term in Glycam2000 yuann
Monday, 23 June 2003
- viewing movie with VMD Layi Adekoya
- Re: viewing movie with VMD Lepsa
- Running MD Balvinder Singh
- Re: Running MD Carlos Simmerling
- Re: Running MD Balvinder Singh
- Re: Running MD Carlos Simmerling
- how to restrain water Mao Xiang
- Re: how to restrain water Alfonso Garcia Sosa
- Re: how to restrain water Alfonso Garcia Sosa
- RE: viewing movie with VMD Ross Walker
- AMBER parameters D Fernandez
Tuesday, 24 June 2003
- ptraj question Ioana Cozmuta
- Re: AMBER parameters David A. Case
- Another mm_pbsa problem Peter Anderson
- Re: Another mm_pbsa problem Holger Gohlke
- GAFF in GUI MD apps Thomas
- electrostatic interaction energ. /delphi Tommi Kajander
- Re: electrostatic interaction energ. /delphi Natasja Brooijmans
- RE: Software Sales Pete Koladich
- Re: ptraj question Thomas Cheatham
- Memory problem Frederico.Miranda.ibmb.uib.no
- T in MD vs. T in wet experiments Jianhui Wu
- Sander problem Yuhui Cheng
- Question about defining force field (followup) FUNG WAI KEUNG
- Re: GAFF in GUI MD apps FyD
Wednesday, 25 June 2003
- unifying trajectory files Peter Anderson
- Re: unifying trajectory files Carlos Simmerling
- Re: unifying trajectory files Natasja Brooijmans
- Antechamber Shweta Sikri
- Re: Antechamber David A. Case
- Re: Antechamber Shweta Sikri
- Re: unifying trajectory files Ioana Cozmuta
- Re: Sander problem David A. Case
- pyroglutamic acid (PCA) Javier Cuervo
Thursday, 26 June 2003
- Amber6 on RH 9 Yichen Cao
- Re: Amber6 on RH 9 David A. Case
- Re: pyroglutamic acid (PCA) David A. Case
Saturday, 28 June 2003
- Problem with Snader Frederico.Miranda.ibmb.uib.no
- Re: Problem with Snader Guanglei Cui
Sunday, 29 June 2003
- protonate Giulio Rastelli

Last message date: Sun Jun 29 2003 - 16:53:01 PDT
Archived on: Fri Dec 20 2024 - 05:53:20 PST