Dear Gmx Users, I run a simulation with quartic angle potential. These function has two minima at 100 at 120 degrees. However, seems from my simulation that it is not applied... all angles are around 180 degrees and my chain is a line chain (straight).
I have in my topology [ angles ] ; i j k funct th0 C0 C1 C2 C3 C4 1 2 3 6 0 1389.5 -46.9053 0.59033 -0.00328291 0.00000680894 in the log file the quartic potential is shown every time. Can it be the reason of th0 to be zero? Steven -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
