[gmx-users] .trr forces into VMD
Mark.Abraham at anu.edu.au
Tue May 19 16:19:59 CEST 2009
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.
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