[gmx-users] Negative Pressure After Energy Minimization

Justin A. Lemkul jalemkul at vt.edu
Fri Sep 30 19:29:21 CEST 2011

Saumya wrote:
> Hello all,
> I am simulating a DMPC Lipid Bilayer and after running the energy 
> minimization, I obtained negative values for the pressure. Is it normal 
> to have those values? If not, How can I fix that? Kindly guide.

Instantaneous pressure values are rather meaningless, especially if you have 
only done EM and not a true dynamics process (i.e. equilibration).  See, for 


In addition, these issues have been discussed dozens of times; please consult 
the archives.



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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