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

intelandamd intelandamd at 163.com
Tue May 1 04:53:05 CEST 2007


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   
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