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

[intelandamd]

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.   Kind Regards                                                 Yang Liu   
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.gromacs.org/pipermail/gmx-users/attachments/20070501/cc6771b1/attachment.html