[gmx-users] density graph
scottiehuan at yahoo.com
Wed Oct 15 05:18:04 CEST 2008
I realized my mistake.
I get the kj/mol unit because i use g_energy command and select the density option.
--- On Wed, 10/15/08, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> From: Justin A. Lemkul <jalemkul at vt.edu>
> Subject: Re: [gmx-users] density graph
> To: scottiehuan at yahoo.com, "Discussion list for GROMACS users" <gmx-users at gromacs.org>
> Date: Wednesday, October 15, 2008, 9:07 AM
> hhhh huan wrote:
> > Dear all gmx users and developers,
> > Is it correct that in gromacs energy (density graph),
> the y-axis is labelled as kJ/mol, I am wonder it is not a
> density unit.
> In the output that I have from g_density (v 3.3), the the
> .xvg file has the
> y-axis labeled as:
> yaxis label "Density (kg/m\S3\N)"
> ...which is a density unit. Where are you seeing kJ/mol?
> Which version of
> Gromacs? What command did you issue?
> > Thanks
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> Justin A. Lemkul
> Graduate Research Assistant
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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