> 1) the length of O-H bonds are longer than those of normal waters. 2) there
> are new bonds between H atoms
> of each water
> molecule.
What is the length of the OW-HW bond, and what do you expect? It
should be exactly what the FF specifies, assuming you used SHAKE
in GROMACS.
In TIP3P, a bond is made between the water H's to keep the water
rigid, so if you were using TIP3P in GROMACS, there should have
been the H-H bond there, too.
Bill
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Dec 26 2010 - 11:30:04 PST
