[gmx-users] Water residence time
andrea.bernini at unisi.it
Tue May 6 19:10:01 CEST 2003
Dear gmx users,
I would like to compute residence time of water molecules on a protein
surface using a md trajectory of a solvated system. Is it possible to
carry out such calculation using Gromacs tools?
If not, is it possible to obtain a list of water molecules that are
closer than a given distance to the protein for each frame?
Thanks in advance, Andrea.
More information about the gromacs.org_gmx-users