Amber Archive Feb 2011 by messages with attachments

[AMBER] frcmod.urea subrata paul (Tue Feb 01 2011 - 07:07:49 PST)
1. frcmod.uss (396 bytes)
Re: [AMBER] TI in vacuum FCUP (Tue Feb 01 2011 - 09:02:40 PST)
1. files.zip (10868 bytes)
Re: [AMBER] TI in vacuum FCUP (Tue Feb 01 2011 - 09:08:22 PST)
1. prod0.3_imd.pdb (578 bytes)
Re: [AMBER] free radicals in amber Ashutosh Shandilya (Fri Feb 04 2011 - 06:09:03 PST)
1. artemisinin.frcmod (1716 bytes)
2. artemisinin.library (6288 bytes)
[AMBER] Distance restraints Beale, John (Mon Feb 07 2011 - 09:59:35 PST)
1. image001.jpg (10569 bytes)
Re: [AMBER] parametrization of acetyl-coa using antechamber Knut Jørgen Bjuland (Sun Feb 13 2011 - 01:00:02 PST)
1. ACOh.pdb (10211 bytes)
2. 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)
1. actg3_gb1_equil.pdf (42246 bytes)
[AMBER] increasing rmsd value Siti Mohamad (Tue Feb 15 2011 - 05:07:04 PST)
1. 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)
1. _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)
1. 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)
1. _MMPBSA_complex_pb.mdout (5330 bytes)
2. _MMPBSA_receptor_pb.mdout (5330 bytes)
3. _MMPBSA_ligand_pb.mdout (73916 bytes)
Re: [AMBER] increasing rmsd value Siti Mohamad (Tue Feb 15 2011 - 17:13:57 PST)
1. 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)
1. _MMPBSA_complex_pb.mdout (21137 bytes)
2. _MMPBSA_ligand_pb.mdout (20181 bytes)
3. _MMPBSA_receptor_pb.mdout (21137 bytes)
Re: [AMBER] FATAL ERROR vani panguluri (Wed Feb 16 2011 - 08:38:53 PST)
1. 1k4uapo.pdb (118957 bytes)
2. 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)
1. 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)
1. heh2.zip (70672 bytes)
[AMBER] MD simulation of protein with Calcium ion Aditya Padhi (Thu Feb 17 2011 - 21:31:28 PST)
1. metals.mpeg (188 bytes)
2. metals.prp (652 bytes)
3. leap.log (99626 bytes)
4. new.pdb (372197 bytes)
[AMBER] How to simulate hydration free energy with thermodynamic integration? Junjian Miao (Fri Feb 18 2011 - 05:32:18 PST)
1. clip_image002.jpg (5698 bytes)
2. clip_image004.jpg (8843 bytes)
3. 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)
1. clip_image002.jpg (5698 bytes)
2. clip_image004.jpg (8843 bytes)
3. clip_image005.gif (2104 bytes)
[AMBER] MD simulation of protein with Calcium ion Aditya Padhi (Fri Feb 18 2011 - 21:14:18 PST)
1. leap.log (51829 bytes)
Re: [AMBER] Probelm with antechamber for resp charge derivation Rajesh Raju (Tue Feb 22 2011 - 14:27:30 PST)
1. receptor.jpg (17083 bytes)
2. receptor.gif (7657 bytes)
[AMBER] A bit off-topic? Comments Dean Cuebas (Tue Feb 22 2011 - 17:28:53 PST)
1. 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)
1. clip_image002.gif (988 bytes)
Re: [AMBER] REMD at constant pH Cheng-I Lee (Tue Feb 22 2011 - 20:50:39 PST)
1. bba.top (168171 bytes)
[AMBER] how to understand disappearing atoms no contribution to DVdl Junjian Miao (Wed Feb 23 2011 - 06:13:45 PST)
1. 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)
1. in.md (566 bytes)
[AMBER] Question Beale, John (Thu Feb 24 2011 - 03:39:59 PST)
1. image001.jpg (2950 bytes)
[AMBER] Open MPI invalid message type 10 Katharina Lang (Thu Feb 24 2011 - 08:21:47 PST)
1. smime.p7s (5473 bytes)
Re: [AMBER] No energy conservation in NVE ensemble amber 11 Ivan Gladich (Fri Feb 25 2011 - 02:50:23 PST)
1. in.md (372 bytes)
2. graph_1.jpg (45081 bytes)
3. graph_2.jpg (59290 bytes)

Last message date: Mon Feb 28 2011 - 17:00:04 PST
Archived on: Mon Dec 23 2024 - 05:54:09 PST

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