Hello everybody, I've got an awful doubt on how the Urey-Bradley (UB) term is taken into account in the potential energy. When an angle has got regular and UB parameters, how this will appear in the .edr file? The angle energy will only appear in the UB term only or it will be splitted between Angle and UB terms? I guess that both parameters are used in the computation but I'm not sure whether they are added before be printed in the .edr file or not.
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