[gmx-users] Re: switching off electrostatics

Vitaly Chaban vvchaban at gmail.com
Fri Jul 23 06:30:43 CEST 2010

> Hello,
> 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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