[gmx-users] Re: switching off electrostatics
vvchaban at gmail.com
Fri Jul 23 06:30:43 CEST 2010
> I am a hydrocarbon system consisting of a polyethylene and alkane ( only H
Are you a hydrocarbon system? :-)
> and C). I wanted to know how I Can switch off electrostatic term in mdp
> file. When I delete coulombtype from mdp grompp gives an error:
> when using cutoff r coulomb must be greatrer than rlist?
Type ZERO charges in topology.
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