[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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