On 2013-10-04 12:30, Albert wrote:
Hello:

  I've submit a simulation in gromacs, and I am just wondering how can
we calculate kinetic constant for the ligand bound/ubound process?

thanks a lot
Albert
Check out our recent paper and references therein:

http://pubs.acs.org/doi/abs/10.1021/ct400404q

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David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205.
sp...@xray.bmc.uu.se    http://folding.bmc.uu.se
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