On Fri, Sep 02, 2016, Pengfei Li wrote:
>
> Does anyone know how to print out Hessian matrix in AMBER? Thanks!
The upper triangle (I think!) is stored in the "h" array in nmode(),
in $AMBERHOME/AmberTools/src/sff/nmode.c. Just add some code to print
out in the format you want.
....dac
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Received on Fri Sep 02 2016 - 05:30:03 PDT
