[gmx-users] Re: 1-4 interaction energies in g_energy
Vitaly V. Chaban
vvchaban at gmail.com
Fri Dec 4 08:50:53 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?
> 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.
What do you mean saying "manual exclusions"? I have no energy
exclusions defined in grompp.mdp. Is there any place to make them?
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