[gmx-users] Melting simulations - regd
rapolusukumar at gmail.com
Fri Jul 13 08:27:40 CEST 2012
Hello gmx users,
I am doing melting simulations of a polymer in gromacs, for this am
giving output from a production run of particular temperature as the
input for equilibration at next temperature and generating velocities
in equilibration at each temperature by using gen_vel = yes.
Here my doubt is, as I am using output from production as input for
equilibration so do I have to use continuation = yes in my
equilibration mdp file or as I am generating velocities at each
temperature during equilibration do I have to use continuation =
Any help will be highly appreciated.
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