[gmx-users] Melting simulations - regd

sukumar rapolu 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    =
no ?

Any help will be highly appreciated.

Thank you,


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