[gmx-users] Ramping down the restraint on molecules

Lakshman Ji Verma lakshmanjivrm at gmail.com
Thu Jul 13 16:37:22 CEST 2017

Dear all,

I want to ramp down the restraint on the two molecules from 1000k to 0 on
some time interval so that restraint is removed gradually. My colleagues
said that it can be done with single md parameter file in LAMMPS and NAMD.
Can this be done using a single .mdp file in Gromacs too?  Or I will have
to prepare different .mdp and restraint file for each step.


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