[gmx-users] water molecules (interfacial)
atila.petrosian at gmail.com
Sat Nov 13 14:21:59 CET 2010
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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