[gmx-users] energy minimisation of carbon nanotubes.
marcelodepolo at gmail.com
Sun Sep 16 17:14:16 CEST 2012
I recommend use the double precision just to check the better result to
your system. In my case, i've got much better results using emtol=0.004 and
double precision. My system is too much unstable and i tried. I have no
Em 15/09/2012 22:11, "Elie M" <elie.moujaes at hotmail.co.uk>escreveu:
Thank you for your reply and help.
> Date: Sat, 15 Sep 2012 13:32:06 -0400
> From: jalemkul at vt.edu
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] energy minimisation of carbon nanotubes.
> On 9/15/12 12:49 PM, Elie M wrote:
> > Dear all,
> > I have a small question regardin...
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