[gmx-users] Forces in source code

Петр Попов magistrpetrus at gmail.com
Sat Dec 11 22:52:03 CET 2010


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.



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