> >Message: 1 >Date: Mon, 25 May 2009 01:15:44 -0700 >From: "Zhanglin Ni" <[email protected]> >Subject: [gmx-users] force field parameter for ligands >To: <[email protected]> >Message-ID: <009701c9dd11$012c1ae0$0301a...@zn3> >Content-Type: text/plain; format=flowed; charset="iso-8859-1"; > reply-type=original > >Dear all, >where do you usually get topolgy for small molecule ligand or do it >manually? Dundee PRODRG Server seems to be capable of making .top for ffgmx >only but not new ones like ffG53a6,etc. Thanks
I think the AMBER tools antechamber will be helpful. >Johnny > > > >------------------------------ > >_______________________________________________ >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! > >End of gmx-users Digest, Vol 61, Issue 120 >****************************************** _______________________________________________ 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
