[gmx-users] 1-4 interaction energies in g_energy

Vitaly V. Chaban vvchaban at gmail.com
Thu Dec 3 21:46:25 CET 2009


Please suggest why is the reason that 1-4 term is not displayed (to be
selected for calculation) in the g_energy utility? I have two kinds of
objects (with 25 and 5 atoms) in my system - with "nexcl" equal to 3
and 2. I guess the 1-4 term may not be displayed if there is no 1-4
interactions but in this system they are evidently present.

What the problem can be here?


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