[gmx-users] Water residence time

Andrea Bernini 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 mailing list