[gmx-users] about relaxation protocol
tsjerkw at gmail.com
Fri Nov 25 07:54:58 CET 2011
You can use the free energy perturbation stuff. Check the manual.
On Nov 25, 2011 7:43 AM, "Albert" <mailmd2011 at gmail.com> wrote:
I am a new Gromacs user and I would like to relax my membrane system by
linear force constant:
NPT with protein and ligand heavy atoms annealing, force constant was
removed from 10.0-->0 Kal/mol during 10 ns.
Is it possible for Gromacs to introduced such kind of relaxation in a .mdp
Thank you very much
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