----- Original Message ----- From: Cristiano De Michele <[email protected]> Date: Thursday, March 11, 2010 2:25 Subject: [gmx-users] simulating several proteins To: [email protected]
> Dear all, > is it possible to simulate more than one protein with GROMACS? > I would like to simulate two lysozyme proteins not solvated and > I tried changing number of proteins in topology file (attached) and > then I used this modified .top file to generate a .gro configuration > with genbox, but I always end up getting just one protein > in the simulation box... genbox doesn't take input from the .top file to guide its output. Use genconf on your original structure file to multiply it. Then edit your .top by hand to match. Mark -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
