> How about simply writing a pdb with one less water (mod.pdb) and then use
> leap, e.g. on tleap (after loading ff):
>
> mol = loadpdb mod.pdb
> saveamberparm mol mod.parm mod.rst
Don't forget to setbox after loadpdb if it's in a box.
Bill
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 13 2011 - 11:00:03 PDT
