Hi all,
Using sander, I'm trying to find a way to write intermolecular
forces on a per-atom basis. My idea (which didn't work) was to route the
forces from runmd.f through mdwri2.f, and just replace the output file
allocated for velocities (which I don't need) with those for forces.
Sander compiles fine, but the same velocity values still show up in my
output after running a short script. Is there an easier/different way to
do this? Any feedback into what I'm missing is greatly appreciated.
Thanks.
dsw
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Received on Tue Nov 25 2003 - 23:53:01 PST
