Hi Lovika, You can't use the .itp file from GROMOS for other forcefield. Which kind of molecule are you studying? For generating the .itp file is usually use the pdb2gmx tool.
Regards Lalita > Message: 1 > Date: Thu, 11 Sep 2014 10:22:39 +0530 > From: Lovika Moudgil <lovikamoud...@gmail.com> > To: "gmx-us...@gromacs.org" <gmx-us...@gromacs.org> > Subject: [gmx-users] itp file > Message-ID: > <CANz=wd= > ccwj65te2vc5ezf_3k_nos0yfxrkusx+bf1wzkgr...@mail.gmail.com> > Content-Type: text/plain; charset=UTF-8 > > Hi everyone , > > Need some help . I am using OPLS/AA force field . I am generating .itp > file from external tool , But these tools are using GROMOS force fields . > Is it fine to use these .itp files with OPLS/AA force field ?? Or if its > not fine to use these file with different force field than how can I > generate .itp files for OPLS/AA ? > > > Thanks and Regards > Lovika > > -- Lalita S. Uribe. European Master in Theoretical Chemistry and Computational Modeling. PhD student. Johannes Gutenberg-Universität Mainz -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
