Amber Archive Feb 2011 by messages with attachments
538 messages
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Starting
Mon Jan 31 2011 - 19:00:02 PST,
Ending
Mon Feb 28 2011 - 17:00:04 PST
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[AMBER] frcmod.urea
subrata paul
(Tue Feb 01 2011 - 07:07:49 PST)
frcmod.uss
(396 bytes)
Re: [AMBER] TI in vacuum
FCUP
(Tue Feb 01 2011 - 09:02:40 PST)
files.zip
(10868 bytes)
Re: [AMBER] TI in vacuum
FCUP
(Tue Feb 01 2011 - 09:08:22 PST)
prod0.3_imd.pdb
(578 bytes)
Re: [AMBER] free radicals in amber
Ashutosh Shandilya
(Fri Feb 04 2011 - 06:09:03 PST)
artemisinin.frcmod
(1716 bytes)
artemisinin.library
(6288 bytes)
[AMBER] Distance restraints
Beale, John
(Mon Feb 07 2011 - 09:59:35 PST)
image001.jpg
(10569 bytes)
Re: [AMBER] parametrization of acetyl-coa using antechamber
Knut Jørgen Bjuland
(Sun Feb 13 2011 - 01:00:02 PST)
ACOh.pdb
(10211 bytes)
log_acdoctor
(5673 bytes)
Re: [AMBER] Simulation of DNA using generalized Born model
Ali M. Naserian-Nik
(Tue Feb 15 2011 - 03:19:30 PST)
actg3_gb1_equil.pdf
(42246 bytes)
[AMBER] increasing rmsd value
Siti Mohamad
(Tue Feb 15 2011 - 05:07:04 PST)
EPTOTandVOL.jpg
(32964 bytes)
Re: [AMBER] Simulation of DNA using generalized Born model
Ali M. Naserian-Nik
(Tue Feb 15 2011 - 02:45:39 PST)
_actg_3_gb1_equil.jpg
(319018 bytes)
[AMBER] 回复: 回复: 回复: 回复: 回复: MM-PBSA error about protein + Mg2+
475649770
(Tue Feb 15 2011 - 05:07:49 PST)
com.pdb
(859095 bytes)
[AMBER] 回复: 回复: 回复: 回复: 回复: 回复: MM-PBSA error about protein + Mg2+
475649770
(Tue Feb 15 2011 - 16:56:59 PST)
_MMPBSA_complex_pb.mdout
(5330 bytes)
_MMPBSA_receptor_pb.mdout
(5330 bytes)
_MMPBSA_ligand_pb.mdout
(73916 bytes)
Re: [AMBER] increasing rmsd value
Siti Mohamad
(Tue Feb 15 2011 - 17:13:57 PST)
100ps.jpg
(35713 bytes)
[AMBER] 回复: 回复: 回复: 回复: 回复: 回复: 回复: MM-PBSA error about protein + Mg2+
475649770
(Wed Feb 16 2011 - 00:45:15 PST)
_MMPBSA_complex_pb.mdout
(21137 bytes)
_MMPBSA_ligand_pb.mdout
(20181 bytes)
_MMPBSA_receptor_pb.mdout
(21137 bytes)
Re: [AMBER] FATAL ERROR
vani panguluri
(Wed Feb 16 2011 - 08:38:53 PST)
1k4uapo.pdb
(118957 bytes)
apocynin_vmd.pdb
(1813 bytes)
[AMBER] problem with parametrization of an organo-metallic cluster using RED server
moitrayee.mbu.iisc.ernet.in
(Thu Feb 17 2011 - 00:18:13 PST)
MS1.p2n
(8842 bytes)
Re: [AMBER] ERROR IN SETPAR() upon atom distribution with FF03, 03.r1
Bongkeun Kim
(Thu Feb 17 2011 - 10:26:19 PST)
heh2.zip
(70672 bytes)
[AMBER] MD simulation of protein with Calcium ion
Aditya Padhi
(Thu Feb 17 2011 - 21:31:28 PST)
metals.mpeg
(188 bytes)
metals.prp
(652 bytes)
leap.log
(99626 bytes)
new.pdb
(372197 bytes)
[AMBER] How to simulate hydration free energy with thermodynamic integration?
Junjian Miao
(Fri Feb 18 2011 - 05:32:18 PST)
clip_image002.jpg
(5698 bytes)
clip_image004.jpg
(8843 bytes)
clip_image005.gif
(2104 bytes)
[AMBER] How to simulate hydration free energy with thermodynamic integration?
Junjian Miao
(Fri Feb 18 2011 - 05:45:49 PST)
clip_image002.jpg
(5698 bytes)
clip_image004.jpg
(8843 bytes)
clip_image005.gif
(2104 bytes)
[AMBER] MD simulation of protein with Calcium ion
Aditya Padhi
(Fri Feb 18 2011 - 21:14:18 PST)
leap.log
(51829 bytes)
Re: [AMBER] Probelm with antechamber for resp charge derivation
Rajesh Raju
(Tue Feb 22 2011 - 14:27:30 PST)
receptor.jpg
(17083 bytes)
receptor.gif
(7657 bytes)
[AMBER] A bit off-topic? Comments
Dean Cuebas
(Tue Feb 22 2011 - 17:28:53 PST)
Temperature_Dependence_of_Protein_Folding_Deduced_from_Quantum_Transition.pdf
(327316 bytes)
[AMBER] how to simulate solute in vacuum with TI
Junjian Miao
(Tue Feb 22 2011 - 17:34:19 PST)
clip_image002.gif
(988 bytes)
Re: [AMBER] REMD at constant pH
Cheng-I Lee
(Tue Feb 22 2011 - 20:50:39 PST)
bba.top
(168171 bytes)
[AMBER] how to understand disappearing atoms no contribution to DVdl
Junjian Miao
(Wed Feb 23 2011 - 06:13:45 PST)
how_to_understand_disappearing_atoms_no_contribution_to_DVdl.pdf
(26907 bytes)
[AMBER] No energy conservation in NVE ensemble amber 11
Ivan Gladich
(Thu Feb 24 2011 - 03:49:18 PST)
in.md
(566 bytes)
[AMBER] Question
Beale, John
(Thu Feb 24 2011 - 03:39:59 PST)
image001.jpg
(2950 bytes)
[AMBER] Open MPI invalid message type 10
Katharina Lang
(Thu Feb 24 2011 - 08:21:47 PST)
smime.p7s
(5473 bytes)
Re: [AMBER] No energy conservation in NVE ensemble amber 11
Ivan Gladich
(Fri Feb 25 2011 - 02:50:23 PST)
in.md
(372 bytes)
graph_1.jpg
(45081 bytes)
graph_2.jpg
(59290 bytes)
Last message date
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Mon Feb 28 2011 - 17:00:04 PST
Archived on
: Mon Dec 02 2024 - 05:54:13 PST
538 messages
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