[gmx-users] Re: viscosity and acflen in g_energy
Vitaly V. Chaban
vvchaban at gmail.com
Sun Sep 27 06:26:21 CEST 2009
In "g_energy -h" I see nothing abous viscosity except the option
"-vis". The command line is as I wrote earlier:
"g_energy -vis -acflen 1001"
The system is liquid water. The simulation time is 2 000 ps. The file
I look into is enecorr.xvg.
What the error of some sort do you mean?
>> When using g_energy to calculate viscosity ("g_energy -vis"), in
>> enecorr.xvg the ACF of stress tensor is output. How can one specify
>> the "acflen" of this ACF?
>> I try the key "g_energy -vis -acflen XXX" but the length of the ACF is
>> still equal to the half of the trajectory length.
> If you read g_energy -h, you will need to specify the ACF length in a
> particular way. If you'd given us your actual command line and some
> information about your trajectory, you might have gotten a definitive
> answer... as it is, we can only assume you made an error of some sort! :-)
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