[gmx-users] water handling

Ken Rotondi ksr at chemistry.umass.edu
Tue Mar 9 16:06:02 CET 2004


I've run some trajectories in explicit solvent. I'd like to observe the 
behavior of the water molecules in the first several layers of solvent 
around the protein. Is there any way in the GROMACS package that I can 
strip away the bulk water and look at snapshots of just the protein and 
its associated waters? I've looked through trjconv but did not see a 
solution to my need.

As always, thanks in advance for any help,


Research Associate
The Gierasch Laboratory
The University of Massachusetts-Amherst

More information about the gromacs.org_gmx-users mailing list