Hi, I do not fully understand what you are trying to do, but currently CMAP is only available for the standard amino acid residues present in the rtp-file for the Charmm-forcefield, and the values for the grid are specified in the cmap.itp-file.
Do you use something else? /Per 29 jun 2010 kl. 14.45 skrev Da-Wei Li: > HI, David, > > thanks for your advise. I remove the bond angle force and get same > result. It is really strange. If I set +5 on all the 24*24 grid, I > just get a inverted distribution and if I set 0 on all grid, I will > get a uniformed distribution. It is like that 27 regions are force to > have zero cmap potential. I cannot attach figure due to size limit the > list. I have sent the figure to you directly. > > best, > > dawei > -- > 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/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/mailing_lists/users.php -- 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/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/mailing_lists/users.php
