[gmx-users] 1-4 interaction energies in g_energy
Mark.Abraham at anu.edu.au
Fri Dec 4 00:34:33 CET 2009
Vitaly V. Chaban wrote:
> 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?
Hard to say - we can't see your topologies or even know what your
objects are. You may have some manual exclusions or some such.
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