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gromacs ÃüÁîΪgenion -s em.tpr -p temp.top -o sol_ion.gro -pname CU -np6 -nname CL- -nn 12 -random
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#include "oplsaa.ff/forcefield.itp"
#include "CH122cooh4.itp"
#include "oplsaa.ff/spce.itp"
[ system ]
; Name
Graphite_sheets_in water


[ molecules ]
; Compound        #mols
DND               1

SOL              3618

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[ Last edited by jiaoyixiong on 2012-10-18 at 13:59 ]
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