[gmx-users] about equilibrium

Justin Lemkul jalemkul at vt.edu
Mon Oct 15 18:20:54 CEST 2012

On 10/15/12 12:11 PM, mohammad agha wrote:
> Dear Justin,
> Thank you very much from your response. This question was because of my previous problems about equilibration the box that I sent it with subject "equilibrium for box of simulation". When I equilibrate solvent and additives separated and then add to surfactant and after that equilibrate totally, there are not previous problems and I wanted to know that this method is correct?

Please provide a link to the previous thread.  I read hundreds of posts per 
week; I don't recall this one.  A sequence of commands would also be helpful 
here, as I cannot clearly envision what you are describing.



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


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