[email protected] 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
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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