[gmx-users] solvent for dehydratation
spoel at xray.bmc.uu.se
Tue Jul 15 18:33:01 CEST 2003
On Tue, 2003-07-15 at 17:56, Andrey V Golovin wrote:
> Hello All.
> I am going simulate dehydrated bilayer. So I have hydrated bilayer and
> idea is to change water to some non-h-bonding solvent. So could someone
> advise me what to choose?
wHY not just take it out if that's what you want anyway?
You can also set the charges to zero, but that's a quite agressive way
to go about..
> Thanks in advance !
Dr. David van der Spoel, Dept. of Cell and Molecular Biology
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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