Amber Archive Oct 2014 by messages with attachments

Re: [AMBER] problems with "Could not find vdW" Investigador Química (Wed Oct 08 2014 - 08:07:36 PDT)
1. 1.png (20918 bytes)
Re: [AMBER] problems with "Could not find vdW" Investigador Química (Thu Oct 09 2014 - 06:59:17 PDT)
1. frcntdox.frcmod (12288 bytes)
[AMBER] CUDA test failed Niels Geudens (Fri Oct 10 2014 - 03:42:56 PDT)
1. 10-11_00-23-30.log__size_28429 (28430 bytes)
[AMBER] crashing multisander with TI/dummy Hannes Loeffler (Fri Oct 10 2014 - 04:11:21 PDT)
1. eth_meoh.tar.gz (3147 bytes)
[AMBER] why total energy of the system is on the rise in NVE ensemble zhangmk (Sun Oct 12 2014 - 19:43:03 PDT)
1. ETOT.jpg (334739 bytes)
Re: [AMBER] Calcium possibly replaced by carbon with MCPB mmaestre.gate.sinica.edu.tw (Mon Oct 13 2014 - 16:22:45 PDT)
1. C10_hydrated_sidechain.pdb (3197 bytes)
2. C10_hydrated_sidechain.mol (5421 bytes)
3. C10_hydrated_sidechain.sdf (6065 bytes)
4. C10_hydrated_sidechain.bcl (3632 bytes)
5. C10_hydrated_settings.bcl (451 bytes)
Re: [AMBER] GIST dx files Jonathan Gough (Tue Oct 14 2014 - 12:34:28 PDT)
1. write_dx_file.pl (784 bytes)
Re: [AMBER] principal axes cpptraj Daniel Roe (Tue Oct 14 2014 - 13:44:30 PDT)
1. BenzenePrincipal.jpg (17235 bytes)
[AMBER] Plotting Issue Soumendranath Bhakat (Thu Oct 16 2014 - 07:26:49 PDT)
1. contour_map.jpg (156450 bytes)
[AMBER] Fwd: Desmond trajectory use with AMBER D.A. Ragland (Sun Oct 19 2014 - 11:26:28 PDT)
1. perlscripts.zip (2657 bytes)
[AMBER] Problem regarding Chamber Shubhadip Das (Mon Oct 20 2014 - 04:28:43 PDT)
1. mymol.psf (5293 bytes)
Re: [AMBER] BSUB on LSF cluster D.A. Ragland (Tue Oct 21 2014 - 17:18:47 PDT)
1. dm.nwptr (529 bytes)
[AMBER] Heme Parameters 杨川 (Fri Oct 24 2014 - 01:08:42 PDT)
1. hem.pdb (40062 bytes)
[AMBER] problem with extra-point Emilio Angelina (Sat Oct 25 2014 - 09:38:55 PDT)
1. Br.pdb (325699 bytes)
2. point.frcmod (484 bytes)
3. Br_min.out (11434 bytes)
Re: [AMBER] Temperature not correctly maintained using AMBER14 Gonzalo Jimenez (Sat Oct 25 2014 - 19:41:52 PDT)
1. mdout.vrand.GPU (25070 bytes)
[AMBER] Problem regarding Chamber Shubhadip Das (Sun Oct 26 2014 - 21:28:54 PDT)
1. my_mol_psf.tar.gz (1017 bytes)
Re: [AMBER] Imaging Sylvester Tumusiime (Wed Oct 29 2014 - 09:11:05 PDT)
1. ptraj.in (3264 bytes)
2. ptraj1.in (513 bytes)
3. ptraj2.in (3271 bytes)
Re: [AMBER] Imaging Sylvester Tumusiime (Wed Oct 29 2014 - 09:22:13 PDT)
1. ptraj3.in (384 bytes)

Last message date: Fri Oct 31 2014 - 14:00:02 PDT
Archived on: Fri Nov 15 2024 - 05:55:05 PST

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