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

Vitaly V. Chaban vvchaban at gmail.com
Mon Sep 28 10:24:18 CEST 2009


> Viscosity in g_energy is computed from the pressure tensor which is
> stored in the energy file. Unfortunately is seems like the acflen is
> ignored in this case. Please submit a bugzilla.

Done.

> On the other hand you need all the data you can get for this quantity,

If the system is very big but the simulation time isn't such, you are
absolutely true . In other cases it makes a problem... :)



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