Thanks a lot, Justin. This was what I needed -- the *.atp file. Grazie.
o. ________________________________ From: Justin A. Lemkul <jalem...@vt.edu> To: Discussion list for GROMACS users <gmx-users@gromacs.org> Sent: Wed, November 4, 2009 4:32:40 PM Subject: Re: [gmx-users] Determining types for GROMOS96 force field Omololu Akin-Ojo wrote: > Hi, > > With the GROMOS96 force field, how do I know what atom types I need to > include in my input > files [e.g., for Carbon(sp3) interacting with another Carbon(sp2), which of > the parameters for Carbon should I use?]. Is there some quickly accessible > article/document containing this information? > All atom types are available to you when you #include the appropriate force field. See the .atp file for atom types. The only other listing of the atom types and parameters will be the primary literature for the force field you're trying to use. -Justin > Thanks in advance for any information. > > o. > > > ------------------------------------------------------------------------ > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://lists.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 -- ======================================== Justin A. Lemkul Ph.D. Candidate ICTAS Doctoral Scholar Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ======================================== _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.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://lists.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
