[gmx-users] energygrps

Alexander Alexander alexanderwien2k at gmail.com
Sat Feb 13 23:44:39 CET 2016

Dear Gromacs user,

By using
"energygrps = A SOL"
We can have SR-NB potential energies between "SOL"-"A" in the energy file,
now suppose that there are three elements with different population in our
system like "A", "B" and "SOL", my question is that what should I
write as "energygrps"
if the SR-NB energies between "(AB)" and "SOL" are required to know? not
"A"-"SOL" interaction and "B"-"SOL" interaction separately.

Best regards,

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