Amber Archive May 2013 by messages with attachments

Re: [AMBER] problem in cpptraj installation Kshatresh Dutta Dubey (Sun May 05 2013 - 10:58:09 PDT)
1. config_parallel.log (1416 bytes)
2. config_serial2.log (1289 bytes)
3. make_serial_cpptraj.log (20223 bytes)
[AMBER] Ptraj_segmentation fault KAMAKSHI SHARMA (Mon May 06 2013 - 00:26:22 PDT)
1. cathnew.prmtop (266792 bytes)
2. cath.prmtop (280977 bytes)
3. ptraj.in (6196 bytes)
Re: [AMBER] Test for NTP, ntt=3 Deák Robert (Mon May 06 2013 - 06:25:38 PDT)
1. prod.in (302 bytes)
[AMBER] the best APS is not zero, bonds involved by this atom are frozen Ashutosh Shandilya (Mon May 06 2013 - 08:15:43 PDT)
1. B1.PDB (5400 bytes)
2. newb1.pdb (11365 bytes)
Re: [AMBER] the best APS is not zero, bonds involved by this atom are frozen Ashutosh Shandilya (Mon May 06 2013 - 08:24:40 PDT)
1. drug1.pdb (5427 bytes)
[AMBER] Atom does not have a type. javier alejandro rendon carrillo (Tue May 07 2013 - 00:48:42 PDT)
1. complex.pdb (144330 bytes)
[AMBER] normal modes and intensity for raman spectrum Rasha Alqus (Wed May 08 2013 - 08:51:56 PDT)
1. file_2 (520759 bytes)
2. input_.nab (525 bytes)
Re: [AMBER] pmemd performance on AMD 16cores x 4 (total 64 CPU cores) + 1 GPU Ross Walker (Wed May 08 2013 - 13:15:31 PDT)
1. machine_spec.pdf (163558 bytes)
2. Flyer_for_Starter_2U_4xGPU_System_for_Your_Carrying_Case.pdf (506177 bytes)
Re: [AMBER] Improper atom order Reinis Danne (Thu May 09 2013 - 00:21:05 PDT)
1. leap_cg.png (64824 bytes)
2. leap_improper_atom_order.patch (3288 bytes)
Re: [AMBER] error running pmemd cuda tests ET (Fri May 10 2013 - 09:33:19 PDT)
1. AmberInstallJoyLovePack.tar.gz (18672 bytes)
Re: [AMBER] NaN from Mg2+ near ASP while running aMD Jonathan Gough (Sun May 12 2013 - 12:38:51 PDT)
1. 05-12_at_3.25.09_PM.png (275210 bytes)
2. 05-12_at_3.24.25_PM.png (200899 bytes)
3. 05-12_at_3.25.32_PM.png (220960 bytes)
Re: [AMBER] amber tutorial A15 yanyuna (Mon May 13 2013 - 19:04:04 PDT)
1. md1.out (4428 bytes)
Re: [AMBER] amber tutorial A15 yanyuna (Mon May 13 2013 - 19:30:21 PDT)
1. md.in (192 bytes)
2. md1.out (4428 bytes)
3. mdin.in (102 bytes)
4. min1.x (134408 bytes)
Re: [AMBER] Interpreting .prmtop files Jason Swails (Wed May 15 2013 - 16:18:14 PDT)
1. prmtop.pdf (132054 bytes)
[AMBER] ff10 from amber11 maybe not using OL3?? Amparo Garcia Lopez (Thu May 16 2013 - 09:31:16 PDT)
1. ff10.pdf (441842 bytes)
[AMBER] Grid command for water density BERGY (Sun May 19 2013 - 02:08:08 PDT)
1. RNA_wat_denisty.png (400425 bytes)
[AMBER] Energy and gradient inconsistent between AMBER and NAB Chris Whittleston (Tue May 21 2013 - 08:39:06 PDT)
1. AMBERNAB_inconsistency.pdf (48061 bytes)
[AMBER] Relationship of time-autocorrelation plots for two lengths of time Sajeewa Pemasinghe (Wed May 22 2013 - 13:35:16 PDT)
1. autocorr_500_800ps.bmp (75966 bytes)
[AMBER] Question about the normalization of velocity autocorrelation function Sajeewa Pemasinghe (Wed May 22 2013 - 15:15:59 PDT)
1. autocorrelation.jpg (27432 bytes)
Re: [AMBER] Seg Fault in antechamber while writing ANTECHAMBER_AM1BCC_PRE.AC Jacob Monroe (Fri May 24 2013 - 13:02:49 PDT)
1. sqm.in (10066 bytes)
Re: [AMBER] example karplus.txt file for cpptraj jcoupling command Daniel Roe (Fri May 24 2013 - 13:24:03 PDT)
1. Karplus.txt (4126 bytes)
Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? ET (Fri May 31 2013 - 03:17:07 PDT)
1. PME_out_plus_diff_Files.tar.gz (1716 bytes)
2. GB_out_plus_diff_Files.tar.gz (50512 bytes)
[AMBER] by pmemd.cuda runs Cenk \(Jenk\) Andac (Fri May 31 2013 - 05:32:37 PDT)
1. image.jpg (218223 bytes)
Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? ET (Fri May 31 2013 - 10:17:03 PDT)
1. GB_out_plus_diff_Files.tar.gz (168063 bytes)
2. PME_out_plus_diff_Files.tar.gz (235140 bytes)

Last message date: Fri May 31 2013 - 16:00:02 PDT
Archived on: Wed Apr 17 2024 - 05:54:39 PDT

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