[gmx-users] Re: water molecules in vacuum simulation.

[Tsjerk Wassenaar]

Hi Anwar,

The constraints are defined in spc.itp (or any of the other water
models). So if you use -DPOSRES they are included automatically.

Best,

Tsjerk

-- 
Tsjerk A. Wassenaar, Ph.D.
Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
Nijenborgh 4
9747AG Groningen, The Netherlands
+31 50 363 4336