[gmx-users] where are Density and Volume?

Justin A. Lemkul jalemkul at vt.edu
Thu Oct 13 18:58:44 CEST 2011

Yao Yao wrote:
> Hi,
> I wanna get Density and Volume of my system after simulation.
> I found in tutorials by Justin and kerrigan?, that g_energy -f *.edr -o 
> should work,
> but I do not find in my version 4.5.1 and 4.5.4. That is kind of weird.

Was it an NVT simulation?  If so, those terms are not written because they are, 
by definition, constant.



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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