Could someone please tell me what exactly is printed in the pullf.xvg
file from an umbrella sampling simulation?
Is it the total force acting the COM of the pull group - i.e. force from
regular potential plus the umbrella force or just the unbiased force?
Krzysztof Kuczera
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Krzysztof Kuczera
Departments of Chemistry and Molecular Biosciences
The University of Kansas
2010 Malott Hall
Lawrence, KS 66045
Tel: 785-864-5060 Fax: 785-864-5396 email: [email protected]
http://oolung.chem.ku.edu/~kuczera/home.html
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