[gmx-users] remd jobs failed

Albert mailmd2011 at gmail.com
Fri Oct 19 08:37:10 CEST 2012


I am trying to submit replica exchange jobs to cluster by following 
command, but failed:

g_tune_pme_d -x -np 128 mdrun -s remd_.tpr -multi 16 -replex 1000 
-reseed -1 -launch

Here is the log file:

Program g_tune_pme_d, VERSION 4.5.5
Source code file: gmx_tune_pme.c, line: 1579

Fatal error:
File remd_.tpr not found.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

I've got all necessary .tpr file in the same directory (remd_1.tpr, 
remd_2.tpr ......)

thank you very much

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