Hello, dear gmx-users. I want to decompose PMF, but I can't use -rerun option for this 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. -- 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
