Hi Francesco That number corresponds to a type for each cmap-entry. The idea (iirc, it was some time ago) was that it could be useful to be able to have multiple cmap-types (other grid values, different grid spacing etc) for the same cmap-dihedral (much like different torsions etc...), but based on a quick look in the code, the support for that is very limited. It should probably not be touched right now.
Cheers /Per 19 feb 2013 kl. 15:43 skrev francesco oteri: > Dear gromacs users, > I am trying to figure out the meaning of the cmaptypes section in file > section. > As far as I understood, taking the following entry as example: > > C NH1 CT1 C NH1 1 24 24\ > > C NH1 CT1 C = phi > H1 CT1 C NH1 = psi > > 24*24 = dimension of the grid > > My question is: what does the 1 mean? > > Best, > Francesco > -- > 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
