[gmx-users] restraining water
lindahl at stanford.edu
Mon Feb 10 18:34:24 CET 2003
Shrivastava, Indira (NIH/NCI) wrote:
> Dear Gromacs users,
> I am planning to do a simulation of a protein embedded in a bilayer. During
>the simulation, I would like to restrain the water molecules at the
> Does anyone have any idea on how to go about doing this??
You can either freeze it completely (check the "freezegroup" topic in
the manual) or
just restrain the position by defining a position restraint section in
the water itp file.
More information about the gromacs.org_gmx-users