Matteus Lindgren wrote:
Hi all
I am looking for a way to import forces from a gromacs run into VMD for
analysis. From a mdrun –rerun I have forces in a .trr file but VMD only
reads the coordinates. Can you think of any way to get the forces into
vmd instead of the coordinates?
If VMD will only import positions from .trr files, then you could write
a forces-only .trr file and through a code hack or hex edit, force the
frame header to describe them as positions. Or, write a new VMD plugin.
Or, modify the VMD source suitably.
Mark
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.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 gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
