Dear users,

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 

Q2: Or I will loose only translational freedom?

Q3: The position restraint means restraining potential and this will result in 
an altered statistics, right? 

Gromacs Users mailing list

* Please search the archive at before posting!

* Can't post? Read

* For (un)subscribe requests visit or send a 
mail to

Reply via email to