To protein-protein and protein-lipid components, for example.
2010/12/12 David van der Spoel <sp...@xray.bmc.uu.se>: > On 2010-12-11 22.52, Петр Попов wrote: >> >> Hello, dear gmx-users. >> >> I want to decompose PMF, but I can't use -rerun option for this > > decompose into what? > >> because I get this PMF due to pull force. And also .trr files are >> large to do md with different energy groups to get PMF. >> So, I need to adopt source code for this task. >> Could you help me and give me any advices? - in what .c files are >> forces and pull force are evaluated? Or from what I must start? >> >> Best regards, >> Petr. > > > -- > David van der Spoel, Ph.D., Professor of Biology > Dept. of Cell & Molec. Biol., Uppsala University. > Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. > sp...@xray.bmc.uu.se http://folding.bmc.uu.se > -- > 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/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
