[gmx-users] restraint the CM of a molecules in any one of the directions.
Sridhar Kumar Kannam
srisriphy at gmail.com
Wed Nov 19 01:20:21 CET 2014
Is there a way to restraint the CM of a molecules in any one of the
directions. I have been through the manual and the user list but could not
find a solution. It seems we can implement the position restraints only on
atoms but not on the CM of a molecules. I want the molecule to rotate
freely, applying the atomic position restraints do the job but it prevent
the rotation of the molecule.
Any suggestions ?
Sridhar Kumar Kannam :)
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