That's why I use a second step to modify the created top file to add such specific dihedral angle explicitly in the top file.
>I have noticed that both in the Yuguang Mu's and the Mark Abraham's work, >the periodic parameters of dihedral angles have been converted into >Ryckaert-Bellemans ones. I have tried to find more info about this in the >CHARMM and Gromacs documentations but I have not found much. Why exactly >this conversion should be done since the periodic potential is implemented >in both force fields? My problem is that several dihedral angles cannot be >easily converted in RB parameters since their multiplicities is equal to 6 >and the RB potential implemetation is limited to 5 constants. Thanks Nicolas -- [ Nicolas Sapay Ph.D. ] University of Calgary, Dept. of Biological Sciences 2500 University Dr. NW, Calgary AB, T2N 1N4, Canada Tel: (403) 220-6869 Fax: (403) 289-9311 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
