[gmx-users] Extend the simulation

Elsaid Younes elkhot at gmail.com
Sat Feb 20 21:55:30 CET 2016


Hi all,

I need to extend a previous simulation, and its directory is the same with
all inputs and outpts. That simulation  can not be complete due to the
maximum time of the job which is limited by the server. I use gromacs 5,
when using the command gmx convert-tpr, an error is obtained.

Command line:
  gmx convert-tpr -s previous.tpr -extend timetoextendby -o next.tpr


-------------------------------------------------------
Program gmx, VERSION 5.0.4
Source code file:
/local/easybuild/build/GROMACS/5.0.4/intel-2016.01-mt/gromacs-5.0.4/src/gromacs/commandline/pargs.cpp,
line: 80

Fatal error:
Expected a real argument for option -extend

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------



Is that the only way to extend the simulation? The time of extension has
limits?

/Elsaid


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