<p>Hi Albert,</p>
<p>You can use the free energy perturbation stuff. Check the manual.</p>
<p>Cheers,</p>
<p>Tsjerk</p>
<p><blockquote type="cite">On Nov 25, 2011 7:43 AM, "Albert" <<a href="mailto:mailmd2011@gmail.com">mailmd2011@gmail.com</a>> wrote:<br><br><br>
<br>
Dear all:<br>
<br>
I am a new Gromacs user and I would like to relax my membrane system by linear force constant:<br>
<br>
NPT with protein and ligand heavy atoms annealing, force constant was removed from 10.0-->0 Kal/mol during 10 ns.<br>
<br>
Is it possible for Gromacs to introduced such kind of relaxation in a .mdp file?<br>
<br>
Thank you very much<br>
<br>
Best wishes<font color="#888888"><br>
Albert<br>
<br>
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