Hi there, How about taking a look at acpypi.googlecode.com and its wikis? I hope it can help you.
Alan On Fri, Jun 26, 2009 at 14:27, <gmx-users-requ...@gromacs.org> wrote: > > Hello, > > I'm trying to figure out how I can merge the ligand and receptor > files. I used this script to prep a ligand I treated with GAFF > > perl amb2gmx.pl --prmtop test1.prmtop --crd test1.inpcrd --outname ligand > > This results in ligand.top & ligand.gro > > Then I prepped a receptor > > pdb2gmx_d -f fzd2.pdb -ff amber03 -o conf.pdb > > Is there some way to merge these structures and then simulate with gromacs? > > -- > Jack > > http://drugdiscoveryathome.com > http://hydrogenathome.org > -- 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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