Amber Archive Sep 2010 by messages with attachments

[AMBER] PB warning in pb_miccg 宋德寿 (Tue Aug 31 2010 - 22:30:38 PDT)
1. FINAL_RESULTS_MMPBSA.dat (5905 bytes)
[AMBER] PB warning in pb_miccg 宋德寿 (Tue Aug 31 2010 - 22:32:21 PDT)
1. FINAL_RESULTS_MMPBSA.dat (5905 bytes)
[AMBER] hydrogen bond analysis Ehsan Habibi (Wed Sep 01 2010 - 02:05:53 PDT)
1. ptraj.1.in (6952 bytes)
[AMBER] PB warning in pb_miccg 宋德寿 (Wed Sep 01 2010 - 18:35:52 PDT)
1. FINAL_RESULTS_MMPBSA.dat (5905 bytes)
[AMBER] Nvidia driver bug for GTX400 series gpu's Sergio R Aragon (Fri Sep 03 2010 - 19:35:19 PDT)
1. Temperature.mht (1063344 bytes)
[AMBER] GLYCAM residue naming manoj singh (Mon Sep 06 2010 - 09:05:28 PDT)
1. lig.JPG (11176 bytes)
2. lig.pdb (3730 bytes)
Re: [AMBER] GLYCAM residue naming manoj singh (Mon Sep 06 2010 - 18:56:00 PDT)
1. lig_tmp.mol2 (7108 bytes)
2. lig.pdb (2955 bytes)
Re: [AMBER] problem of GTX470 running pmemd.cuda_DPDP/input file access provided Ross Walker (Wed Sep 08 2010 - 14:02:03 PDT)
1. prmtop (2795716 bytes)
2. inpcrd (1719910 bytes)
3. mdin (240 bytes)
Re: [AMBER] GLYCAM residue naming manoj singh (Wed Sep 08 2010 - 15:31:37 PDT)
1. leap.inp (312 bytes)
2. leap.out (7759 bytes)
Re: [AMBER] compilation fails ALL make.parallel tests Daniel Sindhikara (Sun Sep 12 2010 - 03:07:54 PDT)
1. 09-12_18-07-15.log (7205 bytes)
Re: [AMBER] memory allocation problem? Seibold, Stephen (Sun Sep 12 2010 - 13:23:29 PDT)
1. winmail.dat (3775 bytes)
[AMBER] comparison of PDBs from clustering - representative, average and from rst file Andrew Voronkov (Wed Sep 15 2010 - 11:57:19 PDT)
1. CLUSTERING.zip (160783 bytes)
[AMBER] Fwd: comparison of PDBs from clustering - representative, average and from rst file Andrew Voronkov (Wed Sep 15 2010 - 13:37:44 PDT)
1. CLUSTERING.zip (160783 bytes)
Re: [AMBER] comparison of PDBs from clustering - representative, average and from rst file Andrew Voronkov (Thu Sep 16 2010 - 03:25:57 PDT)
1. rep-c0.pdb (249735 bytes)
2. rep-c0min.pdb (205656 bytes)
Re: [AMBER] Restrainmask problem xue wang (Sat Sep 18 2010 - 19:19:46 PDT)
1. pla2.crd (69906 bytes)
2. pla2.top (771211 bytes)
[AMBER] a pdb-trajout problems bingbing zhang (Sun Sep 19 2010 - 07:57:39 PDT)
1. 1.png (192432 bytes)
2. 2.png (192987 bytes)
3. 3.png (216214 bytes)
[AMBER] Blowing array Seibold, Stephen (Sun Sep 19 2010 - 16:00:42 PDT)
1. Dis.in (164 bytes)
2. Dis.log.log (14600 bytes)
3. RNAP_openMD36.in (1019 bytes)
[AMBER] Aromatic C and N atom type problems in Antechamber Gabriel Rocklin (Mon Sep 20 2010 - 13:20:45 PDT)
1. 4azaindole.mol2 (1587 bytes)
2. 4azaindolium.mol2 (1686 bytes)
3. imidazole.mol2 (979 bytes)
4. imidazopyridine.mol2 (1586 bytes)
5. indole.mol2 (1680 bytes)
6. pyrrole.mol2 (1074 bytes)
Re: [AMBER] a pdb-trajout problems bingbing zhang (Tue Sep 21 2010 - 19:44:32 PDT)
1. nof.png (164404 bytes)
2. nof-2.png (177529 bytes)
[AMBER] Query regarding Hydrogen Bond Duration map hirdesh kumar (Wed Sep 22 2010 - 02:53:04 PDT)
1. hakuna_matata.png (253318 bytes)
[AMBER] MM_PBSA stopped at the last step zhihong ke (Wed Sep 22 2010 - 08:40:34 PDT)
1. mm_pbsa.out (10819 bytes)
[AMBER] PMEMD 10 on OpenMPI with Intel compiler issues CHAMI F. (Thu Sep 23 2010 - 07:28:01 PDT)
1. linux_intel64.ifort (461 bytes)
2. interconnect.openmpi (118 bytes)
3. config.h (920 bytes)
[AMBER] problem with AMOEBA force field Igor Sizov (Thu Sep 23 2010 - 12:16:05 PDT)
1. 2trx.pdb (67486 bytes)
[AMBER] ERROR: The unperturbed charge of the unit: 0.010000 is not integral Bongkeun Kim (Thu Sep 23 2010 - 23:30:06 PDT)
1. LIC_bcc.prepi (5385 bytes)
2. ch3.pdb (11381 bytes)
3. samch3r9.pdb (49105 bytes)
4. samch3r10.pdb (54561 bytes)
Re: [AMBER] AMBER 11: Line minimizer aborted: step at lower bound hirdesh kumar (Thu Sep 23 2010 - 23:51:28 PDT)
1. MMPBSA_Python_Manual.pdf (122448 bytes)
Re: [AMBER] Extracting backbone dihedral angles Jason Swails (Fri Sep 24 2010 - 06:01:46 PDT)
1. phi_psi.tgz (5581 bytes)
Re: [AMBER] ERROR: The unperturbed charge of the unit: 0.010000 is not integral Bongkeun Kim (Fri Sep 24 2010 - 11:43:31 PDT)
1. ch3.mol2 (7010 bytes)
2. ANTECHAMBER_PREP.AC (7736 bytes)
3. ANTECHAMBER_AM1BCC.AC (7736 bytes)
Re: [AMBER] problem with MMPBSA juzer stationwala (Mon Sep 27 2010 - 04:48:54 PDT)
1. pbsa_lig.1.out (9640 bytes)
Re: [AMBER] Aromatic C and N atom type problems in Antechamber Gabriel Rocklin (Mon Sep 27 2010 - 21:29:38 PDT)
1. imidazopyridinium.mol2 (1685 bytes)
2. bent.pdb (1357 bytes)
3. imidazothiazolium.mol2 (1394 bytes)
4. bent.pdb (1117 bytes)
[AMBER] Disulphide bond breakage during minimization hirdesh kumar (Mon Sep 27 2010 - 22:48:25 PDT)
1. 111.png (187645 bytes)
Re: [AMBER] Disulphide bond breakage during minimization hirdesh kumar (Tue Sep 28 2010 - 02:36:44 PDT)
1. tleap.png (144803 bytes)
2. 222.png (134722 bytes)
Re: [AMBER] Disulphide bond breakage during minimization hirdesh kumar (Tue Sep 28 2010 - 04:00:08 PDT)
1. min1.out (13727 bytes)
Re: [AMBER] Xplor_to_Amber Raman Parkesh (Wed Sep 29 2010 - 11:38:14 PDT)
1. newcug_upl_lol_1.txt (14697 bytes)
2. ar_2_fix_min_1.pdb (46330 bytes)
3. DG_modified.ABMBER (19121 bytes)

Last message date: Thu Sep 30 2010 - 18:00:03 PDT
Archived on: Fri Dec 20 2024 - 05:54:10 PST

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