[gmx-developers] Dual Force

hess at sbc.su.se hess at sbc.su.se
Tue Jun 30 09:15:23 CEST 2009


It is fr->f_novirsum.
It is turned on by fr->bNoVirSum.
Search for this boolean in the code to see where it is turned on.


> Hey,
> someone once mentioned that there is the possibility to use a second
> force array (next to the standard one)
> which will not be considered when calculating the virial (so that I can
> calc the virial myself for these forces).
> Where in the sources do I find this/how do I enable that??
> Thx,
> Alex
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