Dennis Sprous, PhD wrote:
Could someone forward the citation of how dVpot/dlambda is calculated
for a free energy run.
I am specifically interested in knowing if it is an analytic or numeric
based calculation.
The equations relevant to free energy calculations are discussed in the manual,
section 4.5.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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