[gmx-users] Queston about energy
Mark Abraham
Mark.Abraham at anu.edu.au
Sun Feb 18 01:24:16 CET 2007
Elias santos wrote:
> Hi!
> I made the molecular dynamics of a peptideo and now I want to make the
> analysis of energies. Thus which the meaning of the long energy of
> Coulomb of and short reach? The same question valley for the energies
> gotten for Lenard Jones (LR, SR.)?
See manual sections 4.6.3 and 4.9 and the descriptions of rcoulomb, rvdw
and rlist in section 7.3
Mark
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