Dear all, I want to sum two functions for one torsional angle. Energy of the torsion (say, 1 2 3 4) is the combination of Ryckaert-Bellemans (function no.3) and compensated by periodic proper dihedral (function no.9). Is it possible that I simply type the follows, and GROMACS will add it up? func. parameters 1 2 3 4 3 ... 1 2 3 4 9 ...
I have search for the manual and articles, but I only found one possible option to scan the text file for the torsion. However, I was wondering whether there is a easy way to combined use two torsional functions for one torsion? Thank you. Best, Lee -- 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