[gmx-users] solvent for dehydratation
Andrey V Golovin
golovin at genebee.msu.su
Wed Jul 16 11:10:02 CEST 2003
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
>> Thanks in advance !
Andrey mailto:golovin at genebee.msu.su
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