[gmx-users] solvent for dehydratation

[Christoph Freudenberger]

Andrey V Golovin wrote:
> Hello Christoph,
> 
> Wednesday, July 16, 2003, 1:24:18 PM, you wrote:
> 
> CF> Why not just do what you pointed out yourself.
> CF> take teh water out and replace it by a non-h-bonding solvent? Isn't
> CF> there a box of decane (IIRC) in $GMXDATA/top?
> 
> I have only 64 dppc bilayer so the cell is small may be it is better use the
> heptane box from http://www.gromacs.org/topologies/molecules.php.
> 
> 
what ever. You might also whant to try the CHnCl4-n or even MeCN or
DMSO from the that site.
The choice of solvent depends on what you want expect from
the simulation, I'd say.

-- 
Christoph Freudenberger
Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785