[gmx-users] Calculation of forces
godawr at rpi.edu
Tue Aug 2 17:49:35 CEST 2005
Can anybody help me out in locating the source code in GROMACS for
calculating position restraint force on restrained atoms? Any ideas
about how would one remove such forces from calculating the virial for
pressure calculations as it screws up my barrostat.
Thanx and regards
Department of Chemical and Biological Engineering,
Rensselaer Polytechnic Institute,
110 8th Street,
Troy NY 12180 3590
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users