[gmx-users] about relaxation protocol

[Tsjerk Wassenaar]

Hi Albert,

You can use the free energy perturbation stuff. Check the manual.

Cheers,

Tsjerk

On Nov 25, 2011 7:43 AM, "Albert" <mailmd2011 at gmail.com> wrote:



Dear all:

 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
file?

Thank you very much

Best wishes
Albert

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