Probably the easiest way for you to get an answer to this is to look up the references which discuss the parameterization of the GROMOS force field. Consistency is the name of the game. See here: http://wiki.gromacs.org/index.php/Parameterization
David On Nov 25, 2007 1:21 AM, Q733 <[EMAIL PROTECTED]> wrote: > > > Dear gmx-users, I want to develop an itp file for an organic molecule which > has 87 atoms. I deduced the charge using the common Resp procedure with > RED-III tool.However , I am not quite sure if the Resp charge or Esp charge > can be used in Gromos forcefield, if not, how does Gromos forcefied deduce > its charge distribution? > Any suggestion will be appreciated, thanks in advance. > _______________________________________________ > 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 [EMAIL PROTECTED] > 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
