[gmx-users] viscovity with a help of g_energy

Justin A. Lemkul jalemkul at vt.edu
Wed Sep 23 12:19:43 CEST 2009

Vitaly V. Chaban wrote:
> Justin,
> It looks especially strange for me that all these files contain only
> the columns of data
> but not the resulting shear viscosity value.

True, g_energy usually prints out an average, but that's for quantities it has 
stored.  However, if you have shear viscosity as a function of time, then 
g_analyze will make quick work of the data files.


> Vitaly
> On Tue, Sep 22, 2009 at 8:26 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>> Vitaly V. Chaban wrote:
>>> Hi,
>>> I which file should one look for the value of shear viscosity as using
>>> "g_energy -vis" to calculate it?
>> A variety of output files are generated with this command.  Either visco.xvg
>> or evisco.xvg should have what you're looking for, according to the headers
>> of the .xvg files printed.
>> -Justin


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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