Seems plausible, but someone would have to double-check the trig. Or make a test case where theta is 0, and then see whether C4 changes the potential in a rerun (should be minus) or not (not). Code's in src/kernel/convparm.c.
Mark On Thu, Jun 27, 2013 at 8:46 PM, Christopher Neale <chris.ne...@mail.utoronto.ca> wrote: > Dear Users: > > can anybody confirm that there is a mistake in equation 4.65 on page 82 of > the manual for version 4.6.1? > > Specifically, I think that the final term should be C4*(1-cos(4*theta)) and > not C4*(1+cos(4*theta)) where the difference is the sign of the cosine term ? > > Thank you, > Chris. > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
