[gmx-users] Regarding without solvent(water).

Justin A. Lemkul jalemkul at vt.edu
Mon Feb 28 12:59:49 CET 2011

ajaniharesh at gmail.com wrote:
> Hi everyone,
> I am using gromacs 4.3 beta.

There is no such version.  You probably shouldn't be any sort of beta version 
for any other purpose but to debug and test new features.

> I have query regarding solvent.
> My protein is completly hydrophobic. So i dont want use a solvent(water). So how to neutralize protein without water.

Then what solvent do you intend to use?

> Can i run gromacs without water ?

Sure, you can use any solvent you like.

> my simulation has charged residue in protein.

Is the ionized state really the most likely form of a residue in a (presumably) 
hydrophobic solvent?




Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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