Dear all,
I have a question about umbrella sampling.I performed
five independent simulations to create the history
files of the angle along the trajectoris. I have used
the same input in the manual (P.137)
In the next step, I used WHAM program to evaluate the
free energy.I have to give the the spring constant to
be a input file for this program.I get different
minimum point if I change the spring value.
Could anybody give me an advise? How can I select the
value of the spring constant?
Best wishes,
TK
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Received on Mon Oct 25 2004 - 13:53:00 PDT
