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NAMD-L: By messages with attachments

By messages with attachments

408 messages sorted by: [ author ] [ date ] [ thread ] [ subject ]
About this archive

Starting: Sat Jan 01 2022 - 00:55:09 CST
Ending: Tue Dec 13 2022 - 12:14:18 CST

• Re: Error in Using Tabulated FF Shadi Rahnama (Tue Dec 13 2022 - 05:16:41 CST)
  1. min.conf (2610 bytes)
• The parameter error in the NAMD Energy of VMD Rulong Ma (Tue Nov 29 2022 - 12:02:19 CST)
  1. image.png (24176 bytes)
• MMPBSA Question Mcguire, Kelly (Thu Sep 22 2022 - 12:56:44 CDT)
  1. MMPBSAResults.txt (4089 bytes)
• Advice on choice of NAMD to install for CUDA/GPU support hgkrug1_at_gmail.com (Mon Sep 12 2022 - 12:24:43 CDT)
  1. qm_min.log (7750 bytes)
• QwikMD QM Tut - FATAL ERROR: Error running command for QM forces calculation. hgkrug1_at_gmail.com (Mon Sep 05 2022 - 04:46:39 CDT)
  1. Min.log (7813 bytes)
• Error: [1]+ Segmentation fault (core dumped) hgkrug1_at_gmail.com (Tue Aug 30 2022 - 05:47:14 CDT)
  1. ubq_wb_ws.tar.xz (22836 bytes)
• how to continue namd md simulation İmren Bayıl (Fri Jul 22 2022 - 16:49:56 CDT)
  1. 01.namd (4313 bytes)
• using amber force field in namd simulation İmren Bayıl (Wed Jun 29 2022 - 05:32:57 CDT)
  1. water_equ.namd (4297 bytes)
  2. 01.namd (4329 bytes)
  3. equ_300.namd (4240 bytes)
  4. equ_250.namd (4238 bytes)
  5. equ_200.namd (4232 bytes)
  6. all_min.namd (1946 bytes)
• minimization in water not running ! İmren Bayıl (Sat May 21 2022 - 09:38:44 CDT)
  1. job.log (10663 bytes)
• Re: restart glitch - return to original structure Strahs, Dr. Daniel Bernard (Fri Apr 15 2022 - 16:07:48 CDT)
  1. Ec_cterm.production_md195 (5374 bytes)
  2. Ec_cterm.production_md194 (5174 bytes)
• Re: Chain identifiers in NAMD simulation fhh2626_at_gmail.com (Wed Apr 06 2022 - 06:17:46 CDT)
  1. l__Chain_identifiers_in_NAMD_simulation_1_.eml (10394 bytes)
• Re: Error while simulating on NAMD Anirvinya Gururajan (Mon Mar 21 2022 - 08:53:39 CDT)
  1. test.sh (231 bytes)
• Error while simulating on NAMD Anirvinya Gururajan (Sun Mar 20 2022 - 16:16:25 CDT)
  1. error.txt (685 bytes)
  2. 50_eq.out (1480 bytes)
• namd slurm getting error İmren Bayıl (Mon Feb 14 2022 - 06:38:32 CST)
  1. namd_slurm.bash (1060 bytes)
• eABF run issue: czar.grad file not covering the reaction coordinates Ashutosh Shandilya (Thu Feb 10 2022 - 10:20:59 CST)
  1. prefix.czar.grad.rtf (666 bytes)
  2. input_file.rtf (6568 bytes)
• Unable to open binary file md_equ_300.out.rst.vel İmren Bayıl (Sat Feb 05 2022 - 04:09:31 CST)
  1. water.namd (4135 bytes)

Last message date: Tue Dec 13 2022 - 12:14:18 CST
Archived on: Tue Dec 13 2022 - 14:32:45 CST

408 messages sorted by: [ author ] [ date ] [ thread ] [ subject ]
About this archive