[gmx-users] Forces in source code

[David van der Spoel]

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.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se