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

Justin A. Lemkul jalemkul at vt.edu
Fri Dec 4 02:45:27 CET 2009

ms wrote:
> 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 :)

A good reason to search the mailing list...




Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list