Dear colleagues As you know if we want to introduce a new molecule into Gromacs, the related parameters for that molecule (e.g. [atoms], [bonds], [pairs], [dihedrals] and so on) should be inserted to the Gromacs rtp file. In the Gromacs user's manual (page 100) an example for these types of topology parameters is propounded for urea molecule. The main question is how can we obtain these topology parameters for a desired molecule?
regards saf _______________________________________________ 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
