Quoting s lal badshah <[EMAIL PROTECTED]>: > Hi All, > I have taken the GTP topology from PRODRG server but now how can I make a > connection with my original topology file: As in Errors of Gromacs it is > mentioned > > ==> find a topology file for the residue / molecule and include as a .itp > file, > > what does it means? I am using OPLS/aa force field.
You do realize, of course, that the PRODRG output is for use with a Gromos-based force field, right? Which one will depend on which version of the server you use... -Justin > Regards, > Lal badshah. > > > SYED LAL BADSHAH > M.Phil Scholar > NCE in Physical Chemistry, > University of Peshawar. > NWFP,Pakistan. > Cell # 03349060632. > Send instant messages to your online friends http://uk.messenger.yahoo.com ======================================== 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 [email protected] 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
