[gmx-users] Can I add extra LJ and electrostatic interactions for 1-2 or 1-3 interactions.

[Mark Abraham]

intelandamd wrote:
> Dear
>    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 :-)

Mark