Dear users,
I am confused about the position restraints. My questions are here:
Advertising
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?
Thanks.
--
Gromacs Users mailing list
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a
mail to gmx-users-requ...@gromacs.org.