It is because I want to apply cmap to my own stuff. I can define my own 2D grid potential and apply to two sequential dihedral angles by add one line in the topol file. However, the testing result is really unexpected.
dawei On Tue, Jun 29, 2010 at 8:53 AM, Per Larsson <per.lars...@sbc.su.se> wrote: > 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-us...@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-us...@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
