Amber Archive Nov 2005 by messages with attachments

309 messages: Starting Tue Nov 01 2005 - 03:53:00 PST, Ending Fri Dec 02 2005 - 21:53:01 PST
This period: Most recent messages
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AMBER: mm_pbsa problem emilia wu (Mon Oct 31 2005 - 18:53:51 PST)
1. sanmin_rec.in (275 bytes)
2. nmode_com.in (175 bytes)
3. nmode_lig.in (175 bytes)
4. nmode_rec.in (175 bytes)
5. sanmin_com.in (275 bytes)
6. sanmin_lig.in (275 bytes)
AMBER: Density of Cyclohexane box chaiann ng (Wed Nov 02 2005 - 19:57:49 PST)
1. c.pdb (1930 bytes)
2. chc.prepin (1673 bytes)
AMBER: How to generate a RMSd-residue number graph using AMBER8 ptraj? Jiapu.Zhang.csiro.au (Thu Nov 03 2005 - 17:16:17 PST)
1. RMSd_residue_number_function.JPG (23901 bytes)
AMBER: MM_PBSA problem haixiao jin (Thu Nov 03 2005 - 22:43:49 PST)
1. npt_statistics.out (1536 bytes)
AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list Nitin Bhardwaj (Wed Nov 09 2005 - 16:55:41 PST)
1. test.pdb (10324 bytes)
Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list Nitin Bhardwaj (Thu Nov 10 2005 - 08:40:21 PST)
1. popc.pdb (20656 bytes)
2. popc.prepin (10220 bytes)
3. popc.frcmod (6163 bytes)
Re: AMBER: Resp install problem, again Jianzhong Liu (Wed Nov 16 2005 - 10:55:06 PST)
1. MACHINE (4219 bytes)
2. resp.f (95188 bytes)
AMBER: ptraj Hbond analysis mathew k varghese (Wed Nov 16 2005 - 20:28:52 PST)
1. ade1l_hbond_wat.out (16407 bytes)
AMBER: need clarification on EWALD BOMB error S.Sundar Raman (Thu Nov 17 2005 - 02:03:22 PST)
1. eq.out (29471 bytes)
Re: AMBER: ptraj Hbond analysis mathew k varghese (Sat Nov 19 2005 - 03:36:12 PST)
1. ade1l_closest.in (153 bytes)
2. ade1l_closf.in (676 bytes)
AMBER: PARM-99 Angelo Pugliese (Fri Nov 25 2005 - 06:03:23 PST)
1. angelo.vcf (274 bytes)
AMBER: some problems with Antechamber David Mobley (Tue Nov 29 2005 - 08:39:26 PST)
1. FRH.mol2 (8280 bytes)
AMBER: rdparm bug David Mobley (Tue Nov 29 2005 - 18:40:02 PST)
1. benzylacetate.prmtop (15493 bytes)
2. test.rdparm (12051 bytes)
AMBER: parmchk segfaulting David A. Case (Tue Nov 29 2005 - 20:06:03 PST)
1. FRH.mol2 (8280 bytes)
Re: AMBER: MM-PBSA: plot the "Ggas+Gsol" vs time Nelson Fonseca (Wed Nov 30 2005 - 13:33:09 PST)
1. signature.asc (479 bytes)