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

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

[gmx-users] Can I use more memory to speed up computa tion?

Dear all There are 1024MB memory available in my computer and I want to use more memory than default to speed up computation.Can I do that and what command should I use? Thank you! Kind Regards Yours

[gmx-users] Can I use different force field functions for a molecule

Dear I want to know whether I can use different functions in a molecule without making extra code.For example in a methanol molecule,I want to use Harmonic potential for C-H bond and use Morse pontential for C-OH bond. Besides,in user specified potential functions,I want to know whether I can