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
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