[gmx-users] print out the velocities and forces using template.c
friendli2000 at gmail.com
Fri Nov 28 10:28:36 CET 2008
Dear all users,
A silly question:
I want to print out the velocities and forces in the trajectories using
In template.c, the coordinates of atom n is in fr.x[n][XX].
Reading the trx.h, i see the x,v and f are defined in the same way. So I
just change it to fr.v[n][XX] for velocities and fr.f[n][XX] for forces.
but it actually not work with "handle_exceptions: Error while dumping
Would anybody tell me how to use the forces and velocities using
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