Vitaly Chaban wrote:
Hello,
Please give me a hint. Is it possible to calculate an autocorrelation
function of interaction energy between some groups in a system using
gromacs standard tools?
For example, ACF of interaction energy between protein and water.
Thanks.
g_energy
--
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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