[gmx-users] Re: OPLS-AA/L force field
alanwilter at gmail.com
Thu May 20 14:28:14 CEST 2010
On Thu, May 20, 2010 at 13:21, <gmx-users-request at gromacs.org> wrote:
> I'm using GLYCAM06, so it involves a bit more effort to generate a .top and
> .gro file than just using pdb2gmx but I thought I'd leave it out as I just
> wanted to explain the method I use to include it. Apologies for the
If you are familiar to ambertools (tleap mainly), so you can create your
molecule there, save the amber parameters and use acpype to convert from
amber to gromacs format.
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
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