[gmx-users] water molecules in vacuum simulation.

[Steffen Wolf]

Hi Anwar,
the answer is: Yes, sure.
CU
Steffen
> Dear users,
> Is it possible to perform an invacuum simulation with few constrained water 
> molecules? I dont want to use the explicit solvent, but want to use the 
> crystallographic water molecules in protein and perform invacuum simulation. 
> regards
> Anwar
>
> ----------------------
> Mohd Anwaruddin
> Project Assistant
> C/o DR.H.A.Nagarajaram
> Lab of Computational Biology and Bioinformatics
> Center for DNA Fingerprinting and Diagnostics(CDFD)
> Nacharam
> Hyderabad-500 076
> INDIA.
> Tel: +91-8413-235467,68,69,70 ext 2019
> anwar.m1 at gmail.com
> -----------------------
>
>
>
> -
>
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-- 
Dipl.-Chem. Steffen Wolf
Department of Biophysics
University of Bochum
ND 04/67
44780 Bochum
Germany
Tel: +49 (0)234 32 28363
Fax: +49 (0)234 32 14626
E-Mail: swolf at bph.rub.de
Web: http://www.bph.rub.de