Hi everybody! Happy new year! =)
I would like to understand a little bit better the CMAP format of charmm27.ff within GROMACS. I've looked up in the manual but found little information. I understand that it is defined by 5 atoms (1-4 phi and 2-5 psi), a arbitrary identification number (e.g. 1) and the grid size (e.g. 24x24). But the following grid values are lines with just 10 values each, ended with a "\", instead of a 24 columns- 24 lines matrix. How are those values of CMAP formatted in GMX? Does GMX automatically transform those values in a matrix and, if so, can I consider that its "y-axis" would be PSI and "x-axis" would be PHI? Cheers! -- Marcelo Depólo Polêto Postdoctoral Researcher BIOAGRO - Room T07 Department of General Biology - UFV Contact: + 55 31 3612-2464 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
