Thank you very much! Paulo Netz
On 5/13/09, Alan <[email protected]> wrote: > Please, take a look at acpypi.googlecode.com. I hope it can help you. > > Alan > > On Wed, May 13, 2009 at 06:12, <[email protected]> wrote: > >> Subject: [gmx-users] DNA-ligand interactions with AMBER >> >> Dear Gromacs users >> >> I am simulating the interactions between ligands and DNA >> using GROMACS with the AMBER force field, as implemented with >> the AMBER PORT for GROMACS. Simulating DNA is actually >> very easy with this protocol, but for the ligand some >> problems arise. Until now we are constructing the >> topology manually, but this became complicated for large >> ligands. What is the best way to construct ligand >> topologies with AMBER parameters, for using with GROMACS, >> provided that we DO NOT have the AMBER package? >> >> Thank you very much in advance. >> >> Paulo Netz > -- > 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<< > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
