[gmx-users] solvent for dehydratation

Andrey V Golovin golovin at genebee.msu.su
Wed Jul 16 11:10:02 CEST 2003

Hello David,

Tuesday, July 15, 2003, 8:34:55 PM, you wrote:

D> 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?
D> wHY not just take it out if that's what you want anyway? 

Actually i need the same pressure in the same volume.

D> You can also set the charges to zero, but that's a quite agressive way
D> to go about..

Yes change charges to zero is that way i think about... but why is it
quite aggressive?

>> Thanks in advance !

Best regards,
 Andrey                            mailto:golovin at genebee.msu.su

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