[gmx-users] macromolecule in solution

ARGYRIOS KARATRANTOS axk47 at psu.edu
Tue Sep 13 17:10:09 CEST 2005


for a macromolecule in solution do I have to use exactly what gromacs says, that
in any direction of the box, the box size must be: size of macromolecule +
2*Rcutoff?

if I applied that in a long macromolecule chain I can not have the desirable
mass fraction (Wpolymer=0.2)
Argyris Karatrantos



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