[gmx-users] Re: viscosity and acflen in g_energy

[Vitaly V. Chaban]

Mark,

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?

Vitaly

>>
>> 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! :-)