A correct way to input starting velocities for atoms?

Matt W mattwa... at gmail.com
Thu Jun 14 20:10:13 UTC 2018


The best way is probably to run a short MD run (see exercises or tests). 
Then have a look at the restart files, that are just input files and see 
how the velocities are given there.

Matt

On Thursday, June 14, 2018 at 8:55:29 PM UTC+1, Pinja wrote:
>
> Thanks for your suggestions! The section was actually &VELOCITIES ON, 
> which I forgot to include. I tried changing it to &VELOCITY and also 
> inputting the coordinates in exponential form, but seems that it didn't 
> make any difference.
>
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