Free Energy/ ERROR

From: Arturas Ziemys (
Date: Mon Mar 12 2007 - 15:37:31 CDT


I try simulated some toy-system to test Free Energy of Conformational change, but I fail with error kind of:

Info: ***********************************
FreeEnergy: Not enough steps to complete pfm & mcti blocks
FreeEnergy: Num Steps Needed = 200002
FreeEnergy: Num Steps Requested = 0
FATAL ERROR: FreeEnergy: Fatal Run-Time Error

I found no answer on mailing list. What is the problem ?


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