[gmx-users] degrees of freedom and position restraint
qasimpars at gmail.com
Sun Apr 8 13:08:08 CEST 2018
I am confused about the position restraints. My questions are here:
Q1: if I apply the position restraints (define = - DPOSRES) on the system in the production run step whether or not I will loose the translational, rotational and vibrational freedom resulting in an entropy reduction of the system?
Q2: Or I will loose only translational freedom?
Q3: The position restraint means restraining potential and this will result in an altered statistics, right?
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