Fabian Casteblanco wrote:
Thanks. So before I run the simulation, I must use energygrps (for
example: energygrps: Protein SOL) in my md.mdp file so that it knows
to write down specific interactions between the two groups. Will
then it simply appear when I later run g_energy?
Yes.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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