I just want to add missing parameters for my molecule in order to get .gro and top files for example GROMOS96 43a2 force field . How can I add missing parameters ? I didn't find any information about this procedure. I'm waiting for your help. Thanks in advance
--- On Wed, 3/11/09, Mark Abraham <mark.abra...@anu.edu.au> wrote: From: Mark Abraham <mark.abra...@anu.edu.au> Subject: Re: [gmx-users] get a box of 100 molecules To: "Discussion list for GROMACS users" <gmx-users@gromacs.org> Date: Wednesday, March 11, 2009, 4:58 PM Adrien Delmont wrote: > > > ------------------------------------------------------------------------ > *From:* Adrien Delmont <adriendelm...@yahoo.com> > *To:* jalem...@vt.edu > *Sent:* Wednesday, March 11, 2009 6:09:53 PM > *Subject:* Re: [gmx-users] get a box of 100 molecules > > I didn't get gro and top files with any force field in Gromacs. I basicly want to use oplsaa and GROMOS96 43a2 force field (improved alkane dihedrals) . I think I should add all the parameters but how can I add my parametes both into oplsaa and GROMOS96 43a2 force field ? You can't just mix force fields. See http://wiki.gromacs.org/index.php/force_field Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
