Quoting Rui Li <[EMAIL PROTECTED]>: > Dear all, > Can I use TIP3P model with Gromacs force field?
First, it has been stated many times over that ffgmx is deprecated and is questionable at best for use in new production simulations. There was a discussion across the list about this not too long ago. To specifically answer your question, no. I believe the Gromos force fields were derived using the SPC model for water, and it is best to remain consistent. > > Moreover£¬why there isn't tip3p.gro in top file? Use spc.gro, as it contains a three-point model of water with the same atom naming as TIP3P (also something that has already been asked across the list - check the archives). -Justin > > Thank you 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 > ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ 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