[gmx-users] Save the velocities a subset of atoms in a trr file during a simulation

ABEL Stephane 175950 Stephane.ABEL at cea.fr
Fri Jan 6 19:34:43 CET 2017


A quick question : 

It is possible to save the velocities (in a trr file) for only selected atoms "during" a simulation as we can do in case of  the xtc files by using a the mdp option compressed-x-grps?   



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