[gmx-users] Can I add extra LJ and electrostatic interactions for 1-2 or 1-3 interactions.
Mark.Abraham at anu.edu.au
Tue May 1 07:11:02 CEST 2007
> I want to add extra LJ and electrostatic interactions for 1-2 or 1-3
> interactions between pairs of atoms in the [ pairs ] section and do free
> energy calculations by perturbing these interactions. If it is possible,
> how can I do that.Thank you.
You start by reading chapters 4 and 5 of the manual closely, try some
simple things for yourself and come back to the mailing list when you
have focused questions :-)
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