Amber Archive Jul 2010: by messages with attachments

Re: [AMBER] Regarding Antechamber Tutorial vaibhav dixit (Thu Jul 01 2010 - 00:49:30 PDT)
1. modification_sustiva.txt (888 bytes)
Re: [AMBER] ld: duplicate symbol _gauss in ../lib/sys.a(random.o) and rand2.o case (Thu Jul 01 2010 - 05:58:33 PDT)
1. rand2.patch (2809 bytes)
Re: [AMBER] ld: duplicate symbol _gauss in ../lib/sys.a(random.o) and rand2.o case (Thu Jul 01 2010 - 14:58:56 PDT)
1. configure_mpich2 (3118 bytes)
Re: [AMBER] ld: duplicate symbol _gauss in ../lib/sys.a(random.o) and rand2.o Jason Swails (Fri Jul 02 2010 - 07:19:51 PDT)
1. selector-1.0.3.tar.gz (53793 bytes)
[AMBER] Solvation in water Hoshin Kim (Thu Jul 01 2010 - 19:39:42 PDT)
1. wat.pdb (544961 bytes)
[AMBER] Question about xleap: How to define a linkage between DNA and phosphotyrosine. Catein Catherine (Sun Jul 04 2010 - 01:06:27 PDT)
1. phosphotryosine-residue.pdb (3061 bytes)
Re: [AMBER] Segmentation fault Jagdeesh C (Mon Jul 05 2010 - 20:10:11 PDT)
1. inputs.rar (244915 bytes)
[AMBER] error massage in constant pH simulation nicholus bhattacharjee (Tue Jul 06 2010 - 02:16:35 PDT)
1. prod.in (400 bytes)
2. ERR_AMBER_JOB.26748 (2688 bytes)
Re: [AMBER] ptraj (AT 1.4) hiccups with gzipped trajectory files Daniel Roe (Thu Jul 08 2010 - 12:42:13 PDT)
1. 07-08-fixEndian.patch (1186 bytes)
Re: [AMBER] ptraj clustering:*** glibc detected *** /soft/amber11/exe/ptraj: double free or corruption Daniel Roe (Fri Jul 09 2010 - 09:07:01 PDT)
1. test0.out (3921 bytes)
Re: [AMBER] ptraj clustering:*** glibc detected *** /soft/amber11/exe/ptraj: double free or corruption moitrayee.mbu.iisc.ernet.in (Fri Jul 09 2010 - 11:14:31 PDT)
1. ptraj.out (439928 bytes)
2. err.out (24381 bytes)
[AMBER] (no subject) llduan.itcs.ecnu.edu.cn (Sat Jul 10 2010 - 00:04:33 PDT)
1. min1.in (227 bytes)
2. min2.in (181 bytes)
3. md0.in (381 bytes)
4. md1.in (295 bytes)
[AMBER] [Fwd: Re: ptraj clustering:*** glibc detected *** /soft/amber11/exe/ptraj: double free or corruption] moitrayee.mbu.iisc.ernet.in (Sat Jul 10 2010 - 05:45:54 PDT)
1. ptraj.out (439928 bytes)
2. err.out (24381 bytes)
[AMBER] problem in converting cprestrt to cpin2 file in constant pH md nicholus bhattacharjee (Sun Jul 11 2010 - 21:23:25 PDT)
1. cprestrt (13708 bytes)
[AMBER] residue wise rmsd, not getting expected results vaibhav dixit (Mon Jul 12 2010 - 01:30:55 PDT)
1. rosi_MD_backboneAF2.rms (15000 bytes)
Re: [AMBER] compile ambertools on mac Jorgen Simonsen (Mon Jul 12 2010 - 13:50:13 PDT)
1. loglog (147004 bytes)
Re: [AMBER] compile ambertools on mac Jorgen Simonsen (Mon Jul 12 2010 - 14:34:39 PDT)
1. logloglog (8686 bytes)
[AMBER] RDF analysis of glucose made by GLYCAM problem Hoshin Kim (Tue Jul 13 2010 - 18:10:30 PDT)
1. RDF_result.jpg (30073 bytes)
Re: [AMBER] questions of decomposition using mm/gbsa fancy2012 (Sun Jul 18 2010 - 00:11:39 PDT)
1. EGFR_B1_statistics.out (526954 bytes)
2. decomp.in (2293 bytes)
Re: [AMBER] ptraj (AT 1.4) hiccups with gzipped trajectory files Daniel Roe (Sun Jul 18 2010 - 06:37:47 PDT)
1. backup.io.c (29447 bytes)
2. 07-16-fixFilesize.patch (7216 bytes)
[AMBER] How to remove PBC effects? Oliver Kuhn (Mon Jul 19 2010 - 05:04:23 PDT)
1. h_cum_f.pdf (124034 bytes)
2. pbc_effect.png (303024 bytes)
[AMBER] errors of energy decomposition fancy2012 (Tue Jul 20 2010 - 23:20:30 PDT)
1. HER2_A1_statistics.out (171912 bytes)
2. decomp.in (2293 bytes)
Re: [AMBER] problem in converting cprestrt to cpin2 file in constant pH md nicholus bhattacharjee (Thu Jul 22 2010 - 02:37:35 PDT)
1. prod.rst (149096 bytes)
Re: [AMBER] segmentation fault Jagdeesh C (Thu Jul 22 2010 - 02:51:15 PDT)
1. Run.dhfr.min_prcg (579 bytes)
Re: [AMBER] Where can I find a tutorial/manual on the IED in VMD for visualizing PCA data from ABMER? hannes.loeffler.stfc.ac.uk (Sat Jul 24 2010 - 00:26:27 PDT)
1. winmail.dat (3626 bytes)
Re: [AMBER] compile ambertools on mac Mengjuei Hsieh (Sun Jul 25 2010 - 04:54:38 PDT)
1. fftw2_prob.patch (516 bytes)
[AMBER] Error report please fix it Shubhra Gupta (Mon Jul 26 2010 - 00:25:42 PDT)
1. md1.in (554 bytes)
2. mgomespc.top (445402 bytes)
3. amber_parallel.sh (367 bytes)
4. mgomespc_min1.rst (102467 bytes)
5. mgomespc_md1.out (7218 bytes)
Re: [AMBER] ptraj-clustering Daniel Roe (Mon Jul 26 2010 - 20:14:20 PDT)
1. 07-26.patch (1399 bytes)
Re: [AMBER] Error report please fix it Shubhra Gupta (Mon Jul 26 2010 - 22:42:13 PDT)
1. config.h (2768 bytes)
2. config_amber.h (3398 bytes)
Re: [AMBER] Error report please fix it Shubhra Gupta (Mon Jul 26 2010 - 22:45:54 PDT)
1. configure_amber (44381 bytes)
[AMBER] cumulative patch with two bugfixes for threaded mm_pbsa.pl Thomas Zeiser (Tue Jul 27 2010 - 09:13:57 PDT)
1. patch (2669 bytes)
[AMBER] Fwd: Error report please fix it Shubhra Gupta (Tue Jul 27 2010 - 21:25:24 PDT)
1. config.h (2768 bytes)
2. config_amber.h (3398 bytes)
3. configure_amber (44381 bytes)
Re: [AMBER] RDF 3 files and 3 columns Philippe Pinard (Sat Jul 31 2010 - 17:03:39 PDT)
1. WAT.O_WAT.O.jpg (26568 bytes)

Amber Archive Jul 2010 by messages with attachments