Thanks, David.
Let me simplify my system. It includes A and B molecules. The van der Waals
interaction between A's is, e.g. U1(r) = -1/r cutted off at r = r_A ; and for
B: U2(r) = -1/r^2, cut off at r = r_B.
I don't know how to handle with two potentials and two cutoffs simultaneously.
-----------------------------------
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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