[gmx-users] water molecules (interfacial)

[atila petrosian]

Dear Mark and gromacs users

thanks for your time and attention.

how to make selection.dat file? what should be in that?

please clarify this new tool more. how can I obtain what I need (number of
water molecules (interfacial) to be within

2.4 A distance from both the protein and the ligand during simulation. also,
exact numeration of each water being

in interface between protein and ligand)?
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