Amber Archive Dec 2010: by messages with attachments

[AMBER] solvent overlap when "iwrap=1" chicago.ecnu (Tue Nov 30 2010 - 20:58:25 PST)
1. m.3.pdb (967215 bytes)
[AMBER] AmberTools serial compilation with intel compiler 12.0.0: final link failed Vlad Cojocaru (Wed Dec 01 2010 - 03:34:24 PST)
1. config.h (4546 bytes)
[AMBER] Distances between amino acid residues Beale, John (Wed Dec 01 2010 - 07:39:54 PST)
1. image001.jpg (10569 bytes)
Re: [AMBER] The good choice of the linux system for Amber 11 calculations on Tesla C2050 GPUs ? Igor Marques (Wed Dec 01 2010 - 11:57:25 PST)
1. wiki_bench.png (123071 bytes)
[AMBER] MM-PBSA energy-decomposition yan zhang (Wed Dec 01 2010 - 22:15:59 PST)
1. files.rar (769747 bytes)
Re: [AMBER] j-restrained peptide Rossella Noschese (Thu Dec 02 2010 - 06:08:33 PST)
1. dyn2.in (1629 bytes)
2. RST2.f (11570 bytes)
Re: [AMBER] Serious problem at specific time point Hoshin Kim (Wed Dec 01 2010 - 20:34:44 PST)
1. Case2.jpg (45761 bytes)
2. Case1.jpg (29495 bytes)
[AMBER] AmberTools 1.4 serial tests failures Vlad Cojocaru (Fri Dec 03 2010 - 06:27:07 PST)
1. 12-03_13-54-04.log (69213 bytes)
2. config.h (4808 bytes)
[AMBER] Closest waters Beale, John (Wed Dec 08 2010 - 04:44:42 PST)
1. image001.jpg (10569 bytes)
[AMBER] error for antecamber to establish small molecule Zhou Gong (Wed Dec 08 2010 - 06:58:49 PST)
1. sam.pdb (2187 bytes)
[AMBER] HEME parameters Karan Mehra (Thu Dec 09 2010 - 17:38:21 PST)
1. frcmod.hemall (3051 bytes)
2. heme_all.in (8059 bytes)
Re: [AMBER] error on running sander.MPI George Tzotzos (Sun Dec 12 2010 - 06:46:39 PST)
1. heat.out (9089 bytes)
[AMBER] Residues lacking connect0/connect1 - these don't have chain types marked: leila karami (Sun Dec 12 2010 - 01:05:47 PST)
1. com.bmp (1177694 bytes)
Re: [AMBER] use of packmol in amber subrata paul (Mon Dec 13 2010 - 19:57:29 PST)
1. trehalose_10_spce.inp (292 bytes)
2. mixture_32_min.in (91 bytes)
Re: [AMBER] Problem on nmropt option in amber 11 Giachetti Andrea - CERM (Tue Dec 14 2010 - 06:57:31 PST)
1. usecase_prova1_in.tgz (487367 bytes)
[AMBER] SCC-DFTB failure Dmitry Nilov (Fri Dec 17 2010 - 03:24:47 PST)
1. md_qmmm_dftb.in (507 bytes)
2. 61125 (12655 bytes)
[AMBER] MMPBSA test fail George Tzotzos (Fri Dec 17 2010 - 11:07:17 PST)
1. FINAL_RESULTS_MMPBSA.dat.save (2195 bytes)
Re: [AMBER] MMPBSA test fail George Tzotzos (Fri Dec 17 2010 - 11:31:26 PST)
1. mmpbsa.out (5531 bytes)
Re: [AMBER] Is this output OK from the hybrid remd? Jason Swails (Fri Dec 17 2010 - 19:37:41 PST)
1. hybrid_remd.patch (1623 bytes)
Re: [AMBER] MMPBSA test fail George Tzotzos (Sat Dec 18 2010 - 05:10:58 PST)
1. mmpbsa.out (2893 bytes)
Re: [AMBER] Is this output OK from the hybrid remd? Daniel Roe (Tue Dec 21 2010 - 14:33:21 PST)
1. 12-21_Sander_HybridRemd_ntr.patch (7164 bytes)
[AMBER] water molecules Beale, John (Wed Dec 22 2010 - 04:48:38 PST)
1. image001.jpg (10569 bytes)
Re: [AMBER] problem of ptraj fancy2012 (Sun Dec 26 2010 - 19:28:30 PST)
1. ptraj.out (6171 bytes)
2. ptraj.in (399 bytes)
[AMBER] Fw: configuring options for Amber tools amit banerjee (Thu Dec 30 2010 - 02:16:47 PST)
1. configuring_option.doc (112640 bytes)

Amber Archive Dec 2010 by messages with attachments