Hi Subrata,
If you have irest=1 (meaning you are not creating an initial set of
velocities from an initial temperature tempi) then ig should have no
effect on an NVE simulation.
All the best
Ross
On 4/23/13 11:02 PM, "Subrata Paul" <paul.subrata34.gmail.com> wrote:
>Dear AmberUser,
>
>Since in NVE simulation, we set ntt=0, So
>
>Is it require to set the vale ig=-1 in the md.in file ?
>--
>*With Best Regards
>Subrata
>PhD Student
>Dept of Chemistry.
>IIT G
>*
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Received on Wed Apr 24 2013 - 00:00:03 PDT
