On Tue, May 25, 2010, Antonios Samiotakis wrote:
>
> Even though the coordinate array is x (and it is used like this in some
> parts of the code), I cannot seem to find any reference to this array in
> the non-bonded energy calculation part of the code in short_ene.f (This
> is where i am interested in using them...)
>
See the subroutines map_coords() and adjust_imagcrds(), in nonbond_list.f
...dac
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Received on Wed May 26 2010 - 05:30:05 PDT
