[gmx-users] Position restraint some molecules of a moleculetype in a system

Khuong Truong Gia khuongtg at gmail.com
Mon Aug 10 13:21:44 CEST 2015


Hi all,

I am using gromacs to run md simulation and I in my system I have 10
molecules of moleculetype A. I want to set position restraint for 3
molecules of moleculetype A and let 7 remained molecules relax. Can anyone
help me to archive this goal?

Thank you very much,
Khuong


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