> Jakob Wohlert wrote: >> Hi all, >> >> I know this has been up on the list before, but I haven't been able to >> get some definite answer - What's the current status of the >> implementation of CHARMM-type CMAPs? I note that people (especially P. >> Bjelkmar as it seems) have done a great job implementing the other >> peculiarities of the CHARMM force fields, but it's still that final >> piece missing. There are several references to CMAP in the source code, >> but I guess it's not fully implemented yet. I just wonder if it will be >> ready anytime soon? >> >> I would be glad to help anyway I can, at least by doing some testing. > > You might be best served emailing Par, who I don't think subscribes to > this list. We had a useful discussion on what I thought was a problem > with the CHARMM implementation a little while back (it wasn't a problem). > > Mark
Ok, thanks. I'll do that! /Jakob ___________________________________________ > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > _______________________________________________ gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
