[gmx-users] what does g_energy actually calculate?
ROZARIO at biop.ox.ac.uk
Tue Aug 30 13:21:15 CEST 2005
I have calculated the energy between three amino acids in my protein using
and was wondering what g_energy actually calculates? I was hoping to get the
short range coloumbic interaction energy between these three residues but
noticed that when these residues move to greater than my cutoff, the energy
not drop off to 0. So am I right in assuming that g_energy works by
the short range interactions of each residue with anything within the cutoff
rather than just interaction between the residues you have specified to
the energy group.
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