[gmx-users] Re:writing xtc file from trr file

JMandumpal jesbman at rediffmail.com
Thu Mar 27 09:15:23 CET 2008


  
>Dear all,

>While running a job, since there was space problem I could not write the xtc files. Now when I do the analysis and use the trr file it reports the >time values after every 5ps i.e. 2000, 2005, 2010 etc. However I wish to >write the xtc file using trjconv such that the timestep is reported >after every picosecond.
>Is this possible or do I need to rerun the entire simulation again to >get the xtc file?

>Regards,
>Priyanka.


Well, How about trying this command:

trjconv -f *.trr -o *.xtc

regards,
Jestin Mandumpal
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080327/c36ee883/attachment.html>


More information about the gromacs.org_gmx-users mailing list