[gmx-users] Adding water to protein to start the simulation process

Justin A. Lemkul jalemkul at vt.edu
Fri Apr 15 16:36:49 CEST 2011

Monisha Hajra wrote:
> Hi User,
> I have a protein which I have modeled by Homology modelling. The modeled 
> protein has no water molecules in its surrounding environment.
> How should I add water molecule so that I can start the simulation process?

Please refer to the abundant tutorial material on the website:



> Regards
> Monisha 


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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