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

[Vitaly V. Chaban]

>> Hi,
>>
>> 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?

Vitaly