[gmx-users] How to modify code so that rlist > rcoulomb

Jeetain Mittal jeetain at gmail.com
Sat Jul 19 22:38:59 CEST 2008

Hi All,

I want to simulate a system for which rvdw > rcoulomb and to account  
for LJ interactions correctly rlist should be greater than rvdw (if  
nstist != 1). For current gromacs setup rlist should be equal to  
rcoulomb. I searched the mailing list and there has been several  
discussions related to this issue such as,


I was wondering if anyone has implemented something already so that a  
system with,  rlist > rvdw > rcoulomb, can be simulated without any  
problem. Can anyone please guide me what files / variables should be  
changed to implement this.


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