Amber Archive Oct 2009: by messages with attachments

Re: [AMBER] trouble using iAPBS Oliver Kuhn (Thu Oct 01 2009 - 04:31:51 PDT)
1. iapbs_com.1.out (6142 bytes)
Re: [AMBER] DMF solvent box Abhishek Banerjee (Tue Oct 06 2009 - 21:10:22 PDT)
1. min.in (133 bytes)
2. min.png (391082 bytes)
3. ori.png (190779 bytes)
Re: [AMBER] DMF solvent box Abhishek Banerjee (Thu Oct 08 2009 - 20:41:02 PDT)
1. Screenshot.png (558356 bytes)
[AMBER] decomposition and calculation of entropy Qinghua Liao (Fri Oct 09 2009 - 23:13:49 PDT)
1. decomp.rar (14602 bytes)
2. Nmode.rar (118216 bytes)
[AMBER] A bug in LEaP ? FyD (Sun Oct 11 2009 - 05:08:37 PDT)
1. P1.off (2667 bytes)
[AMBER] Energy-from-MM/PBSA-VS-experiment Rilei Yu (Sun Oct 11 2009 - 05:53:00 PDT)
1. snapshot_statistics.out (2125 bytes)
2. binding_energy.mmpbsa (8410 bytes)
[AMBER] Simulating transmembrane protein. Jayalakshmi Sridhar (Mon Oct 12 2009 - 11:42:11 PDT)
1. jsridhar.vcf (205 bytes)
Re: [AMBER] Simulating transmembrane protein. Jayalakshmi Sridhar (Mon Oct 12 2009 - 12:57:02 PDT)
1. jsridhar.vcf (205 bytes)
[AMBER] LES and NEB problem Rima Chaudhuri (Tue Oct 13 2009 - 12:35:37 PDT)
1. md_nve2les.in (465 bytes)
2. md_nve7_plp617_les.out (6254 bytes)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation Nicolas Sapay (Thu Oct 15 2009 - 05:34:28 PDT)
1. nicolas_sapay.vcf (391 bytes)
Re: [AMBER] AMBER FF and NAMD Nicolas Sapay (Fri Oct 16 2009 - 07:59:53 PDT)
1. nicolas_sapay.vcf (391 bytes)
Re: [AMBER] Dihedral energy profile in a single molecule Jason Swails (Fri Oct 16 2009 - 08:02:35 PDT)
1. scan.sh (2705 bytes)
Re: [AMBER] question with pucker in six member ring Nicolas Sapay (Fri Oct 16 2009 - 08:04:24 PDT)
1. nicolas_sapay.vcf (391 bytes)
RE: [AMBER] Error: unable to find mopac charges in mopac.out Rilei Yu (Tue Oct 20 2009 - 00:12:19 PDT)
1. FOR005 (298 bytes)
2. FOR006 (81 bytes)
3. mopac.sh (535 bytes)
[AMBER] simulation blown up moitrayee.mbu.iisc.ernet.in (Tue Oct 20 2009 - 10:41:29 PDT)
1. 2zni_2YLY.pdb (371982 bytes)
[AMBER] xleap editing window icons inactive Jayalakshmi Sridhar (Wed Oct 21 2009 - 11:20:01 PDT)
1. jsridhar.vcf (205 bytes)
RE: [AMBER] xleap editing window icons inactive Jayalakshmi Sridhar (Wed Oct 21 2009 - 11:32:46 PDT)
1. jsridhar.vcf (205 bytes)
[AMBER] problem with minimization moitrayee.mbu.iisc.ernet.in (Thu Oct 22 2009 - 04:01:14 PDT)
1. final_comp.pdb (620640 bytes)
2. YLY.frcmod (196 bytes)
3. YLY.in (5931 bytes)
[AMBER] [Fwd: problem with minimization] moitrayee.mbu.iisc.ernet.in (Thu Oct 22 2009 - 05:46:32 PDT)
1. final_comp.pdb (620640 bytes)
2. YLY.frcmod (196 bytes)
3. YLY.in (5931 bytes)
[AMBER] charges for heme-cys in p450 Jayalakshmi Sridhar (Thu Oct 22 2009 - 09:03:08 PDT)
1. jsridhar.vcf (205 bytes)
[AMBER] inhibitor prepin not recognized in xleap Jayalakshmi Sridhar (Fri Oct 23 2009 - 08:56:40 PDT)
1. jsridhar.vcf (205 bytes)
[AMBER] inhibitor prepin not recognized in xleap Jayalakshmi Sridhar (Fri Oct 23 2009 - 09:05:46 PDT)
1. jsridhar.vcf (205 bytes)
[AMBER] xleap not reconizing inhibitor prepin Jayalakshmi Sridhar (Fri Oct 23 2009 - 09:21:07 PDT)
1. jsridhar.vcf (205 bytes)
[AMBER] A bug in LEaP II ? FyD (Sun Oct 25 2009 - 05:58:36 PDT)
1. P1.off (2667 bytes)
2. Q1.off (2629 bytes)
Re: [AMBER] too many undefined parameters in frcmod Junmei Wang (Mon Oct 26 2009 - 07:45:04 PDT)
1. parm99sb_gaff.dat (365560 bytes)
RE: [AMBER] Possible bug in "com" group torsion angle constrain? Thanks! Seetin, Matthew (Tue Oct 27 2009 - 14:17:41 PDT)
1. winmail.dat (0 bytes)
[AMBER] Conversion of Gaussian output file into mol2 megha bajaj (Wed Oct 28 2009 - 01:00:35 PDT)
1. mol41.rar (751458 bytes)
[AMBER] Re: (files attached) RESP with -a and witout -a flag Jio M (Fri Oct 30 2009 - 22:17:55 PDT)
1. with_a_flag.mol2 (846 bytes)
2. witout_a_flag.mol2 (848 bytes)
[AMBER] Gaussian log file error megha bajaj (Sat Oct 31 2009 - 06:10:22 PDT)
1. mol16.log (339927 bytes)

Amber Archive Oct 2009 by messages with attachments