[gmx-users] Fw: The average number of H-bonds

David van der Spoel spoel at xray.bmc.uu.se
Sun Jul 10 14:47:41 CEST 2016


On 10/07/16 07:09, Mahboobeh Eslami wrote:
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>      On Saturday, July 9, 2016 7:19 PM, Mahboobeh Eslami <mahboobeh.eslami at yahoo.com> wrote:
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>   Hi GMX usersI have performed MD simulation on Protein-DNA complex for 100 ns.I want to calculate the average number of H-bonds over time. I studied a paper that the average number of H-bonds over time had been calculated for protein and DNA separately but I don't know that how this parameter has been calculated. How is this parameter  calculated?thanks for your help
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just select the index groups you want.
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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.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se


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