[gmx-users] energy group tables

[Chandan Choudhury]

Dear all,

I am little confused how one would define the energy group tables for the
three energy groups. Actually, I am trying to perform a coarse grained
simulation of a polymer melt using votca interfaced with gromacs 4.6.3.

Suppose, I have 3 energy groups (representing beads of a polymer chain)
defined as:

energygrps = A B C

I need to incorporate the tables corresponding to A-A, A-B, A-C, B-C and
C-C for computing the non-bonded interactions. So, how would one define the
energygrp-table?

Chandan

--
Chandan kumar Choudhury
NCL, Pune
INDIA