[gmx-users] What is the exact difference in the g_energy output between LJ(1-4) LJ(SR) and LJ(LR)?

ms devicerandom at gmail.com
Fri Dec 4 01:35:02 CET 2009


Mark Abraham ha scritto:
> ms wrote:
>> Hi,
>>
>> As per the title. I need to understand what is the difference to help
>> myself debug my inane efforts at CG parametrization. LJ(1-4) I think is
>> clear (non bonded, non-coulombic interactions between 1-4 pairs
>> described in the topology), but about the rest?
> 
> See manual 4.6.3

Seen it, still don't get it :)

m.

> Mark




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