[gmx-users] freeze water
acb15885 at uprm.edu
Mon May 1 15:17:43 CEST 2006
On Friday 28 April 2006 12:02 pm, David van der Spoel wrote:
> Anthony Cruz wrote:
> > Hi:
> > I want to make a simulation of a small pepetide in a box of water but I
> > want to freeze or restrain the movement of all water molecules that have
> > a distance grater that 3 A from the protein surface. Right know the
> > water that are within 3 A of the protein, have a different residue name
> > (SHL) and the other water molecules have the normal resname (SOL) How I
> > could do the restrain???
> use make_ndx to make an index file and freeze all SOL
I have the index but how I used to freeze all SOL??
> > Thanks.
> > Anthony
> > _______________________________________________
> > gmx-users mailing list gmx-users at gromacs.org
> > http://www.gromacs.org/mailman/listinfo/gmx-users
> > Please don't post (un)subscribe requests to the list. Use the
> > www interface or send it to gmx-users-request at gromacs.org.
> > Can't post? Read http://www.gromacs.org/mailing_lists/users.php
More information about the gromacs.org_gmx-users