Hi,
you can send mdrun the TERM or the USR1 signals which will
stop the simulation without data loss. See also the Gromacs
manual on page 281 ("mdrun").
On Unix/Linux this would be kill -USR1 <mdrun-pid>
Carsten
On Sep 22, 2009, at 6:39 PM, Miguel Quiliano Meza wrote:
Dear gromacs users
I am running a molecular dynamics calculation, all is fine but the
time of calculation is big, I would like to know if I can stop the
calculation without lose the information generated until that point.
thanks in advance.
Miguel Quiliano.
_______________________________________________
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before
posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
http://www.mpibpc.mpg.de/home/grubmueller/ihp/ckutzne
_______________________________________________
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
