[gmx-users] rerun on gro file

fahimeh baftizadeh fbaftizadeh at yahoo.com
Sat Sep 18 20:18:24 CEST 2010


I'm trying to do rerun on a trajectory which came from catting some gro
files of a metadynamics simulation. I simply did trjcat -f 1.gro 2.gro
3.gro -o all.xtc -cat 

then I used this all.xtc for rerun.

the output COLVAR is written but only for one step, I did test on some
other trajectory and I am sure that META_INP.dat which is the input of
metadynamics is correct. 

I dont know if the problem is catting the gro file ?!! 


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100918/7e49e14a/attachment.html>

More information about the gromacs.org_gmx-users mailing list