[gmx-users] writing trajectory with water molecules within a distance from protein

maria goranovic mariagoranovic at gmail.com
Mon May 9 16:50:25 CEST 2011

Dear experts

I have a protein simulation in a water box. I now want to write a trajectory
containing only the protein, and water molecules within 5 Angstroms of the
protein, with the water list being updated each time step. How can one do
this? Appreciate the help

Maria G.
Technical University of Denmark
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110509/d656ca18/attachment.html>

More information about the gromacs.org_gmx-users mailing list