[gmx-users] Fwd: how to position restraint COM of clusters?

XUEMING TANG yujan2007 at gmail.com
Fri May 28 19:01:45 CEST 2010


I noticed a new position restraint com function of Gromacs (Implement new
position restraints that restrain particles with respect to the center of
mass of a group (e.g. for cluster simulations).) How can I get detailed mdp
file set up for this function? Is it a pr.mdp or md.mdp with pull code?

Thanks in advance!

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