[gmx-users] Calculating number of water molecules involves between dimer protein.

Rajiv Gandhi grajiv03 at gmail.com
Thu Sep 6 07:56:34 CEST 2012

I want to calculate the time dependence of the average number
of interfacial water molecules in dimer protein ( example hemoglobin),

In experimental results proposed that the water molecules get
increase/decrease on time scale manner. Is't possible to show up this
process in MD simulation studies.

Thanks in advance

Kind regards


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