Dear Oliver, On Thu, May 20, 2010 at 13:21, <gmx-users-requ...@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 > confusion! > 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 -- Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate Department of Biochemistry, University of Cambridge. 80 Tennis Court Road, Cambridge CB2 1GA, UK. >>http://www.bio.cam.ac.uk/~awd28<<
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