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

Tsjerk Wassenaar tsjerkw at gmail.com
Wed Sep 27 10:37:39 CEST 2006

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.



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

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