[gmx-users] multiple protein interaction

Justin A. Lemkul jalemkul at vt.edu
Tue Jul 26 13:39:05 CEST 2011

smriti Sebastian wrote:
> hi all,
> I am new to GROMACS.I would like to know how we will simulate putting 
> more than two or more molecules of same proteins inside the box and do 
> simulation?Is there any possibility to replace 100 atoms or so of 
> solvent with proteins?
> Please help.

You received two replies the last time you asked this exact same question:


So what have you done to try to proceed?  If you want free help, you have to be 
willing to use what you're given to make some progress and report back with 
specific issues that arise.



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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