Dear all, For example, my peptide is rotating 50 degrees about a bond B-C, out of four bonded atoms A-B-C-D. I want to apply additional force on this dihedral(B-C) during my simulation(only for this particular atoms to make it rotate further till 180 degrees). All the remaining atoms in the peptide will have normal force as usual. May I ask you, how can I apply this in gromacs code. Any help will be appreciated!
Thank you. Best regards Gajula _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
