Amber Archive Feb 2009 by messages with attachments

476 messages: Starting Sun Feb 01 2009 - 01:22:48 PST, Ending Sun Mar 01 2009 - 01:09:59 PST
This period: Most recent messages
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Re: [AMBER] pmemd installation in intelmpi Robert Duke (Wed Feb 04 2009 - 20:34:37 PST)
1. configure (20712 bytes)
2. interconnect.intelmpi (129 bytes)
RE : [AMBER] script to convert GLYCAM ff in CHARMM format ABEL Stephane 175950 (Fri Feb 06 2009 - 07:03:19 PST)
1. ATT22663901.txt (137 bytes)
Re: [AMBER] Test run on Solaris 10 X 86 Manikandan Chandrasekaran (Fri Feb 06 2009 - 09:39:54 PST)
1. err (9136 bytes)
[AMBER] Irregularity in box during md parul sharma (Tue Feb 10 2009 - 02:35:18 PST)
1. 1000rst.pdb (523145 bytes)
2. 1001rst.pdb (523145 bytes)
RE : [AMBER] RED-vIII: Scratch directory for Gaussian [NOT FOUND] ABEL Stephane 175950 (Tue Feb 10 2009 - 06:39:17 PST)
1. ATT26680088.txt (137 bytes)
Re: [AMBER] Stability of a long NPT md trajectory? Bill K (Tue Feb 10 2009 - 11:39:22 PST)
1. MD_NPT_Kionbulk02.out (532458 bytes)
2. MD_NPT_AMBER_MD_input_2.txt (556 bytes)
3. MD_NPT_Kionbulk01.rst (235893 bytes)
4. MD_NPT_Kionbulk02.rst (235893 bytes)
[AMBER] density and volume in NVT ensamble oguz gurbulak (Mon Feb 16 2009 - 05:58:13 PST)
1. density.jpeg (41990 bytes)
2. volume.jpeg (41796 bytes)
Re: [AMBER] density and volume in NVT ensamble oguz gurbulak (Mon Feb 16 2009 - 06:27:01 PST)
1. equ.out (23254 bytes)
[AMBER] question about ptraj hydrogen bond analysis monica bhattacharee (Wed Feb 18 2009 - 11:45:17 PST)
1. hbond.txt (255 bytes)
[AMBER] Re: AMBER: How do you evaluate forces on a fixed atom? Bill Kowallis (Wed Feb 18 2009 - 17:55:47 PST)
1. dynlib_frozen_forces.f (27362 bytes)
2. ene_frozen_forces.f (43393 bytes)
3. files_frozen_forces.h (2310 bytes)
4. force_frozen_forces.f (36636 bytes)
Re: [AMBER] test charge Dan Kaps (Fri Feb 20 2009 - 08:58:17 PST)
1. charge.pdb (6364 bytes)
[AMBER] extra torsion terms in tleap.top-file Astrid Maaß (Thu Feb 26 2009 - 06:32:30 PST)
1. tleap_torsions.tar.gz (123249 bytes)
[AMBER] A problem with xleap and pdb file nancy4619 (Fri Feb 27 2009 - 04:28:01 PST)
1. nanotube.pdb (23069 bytes)
2. nanotube.txt (23069 bytes)
3. 1.png (64684 bytes)
[AMBER] I need a professional help about xleap and pdb file nancy4619 (Fri Feb 27 2009 - 05:56:14 PST)
1. nanotube.pdb (23069 bytes)
2. nanotube.txt (23069 bytes)
3. 1.png (64684 bytes)
[AMBER] Partial entropy calculations ? Marek Malý (Fri Feb 27 2009 - 10:21:29 PST)
1. complex.jpg (84648 bytes)