[gmx-users] Can GROMACs use multiple van der Waals potentials and multiple van der Waals potential cutoffs?

[hong bingbing]

Dear all,

I'm trying to simulate multiple phases in one system. Each phase has distinct van der Waals potential form and different
cutoffs from the rest. Unfortunately, I found only one van der Waals potential and one cutoff can be defined in .mdp file of one run. Did I miss some features of GROMACS? Have you encountered this problem before and could you lend a help?

Thank you
Cynthia


      
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