[gmx-users] Regarding creating interface between two solvent at particular site

Justin A. Lemkul jalemkul at vt.edu
Tue Apr 12 23:22:57 CEST 2011



Mark Abraham wrote:
> On 13/04/2011 7:09 AM, YUVRAJ UBOVEJA wrote:
>> Hello
>>
>> I am trying to build a solvent box of two solvents. Water & octane.
>> I want to create a interface at a particular site of the protein, as i 
>> am studying interfacial activation of Lipase's lid.
>> Kindly suggest.
> 
> The mailing list archives contain several discussions of this topic. 
> Please have a search.
> 

There's even a tutorial:

http://www.gromacs.org/Documentation/Tutorials#Heterogeneous_Systems

-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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