[gmx-users] calculating the water mol

Rajiv Gandhi grajiv03 at gmail.com
Mon Oct 15 16:12:02 CEST 2012

Dear Gromacs.

In experimental it says that the number of water molecule present in dimer
interface could be varied upon time of ligation process. I want to
calculate the number of water molecules in the protein dimer interface
during the simulation. Could advice me how it can be done?  Thanks in



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