[gmx-users] position restraint
harryhuangkun at gmail.com
Sat Sep 3 17:44:49 CEST 2011
Dear Gromacs users:
I am trying to extract the constraint energy imposed by position restraint.
I extract the coordinate of the restraint atom and want to calculated
directly by using the harmonic potential. The question is : Does the
reference position come from the .gro file as the input in mdrun? It seems
to me that that's the only possible source as I didn't specify it anywhere.
Department of Physics, Rensselaer Polytechnic Institute.
Troy, NY. 12180.
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