Hi,
I currently use NAB to compute the Hessian in xyz space. Is there a
way in AMBER to compute the hessian in internal coordinates? There
used to be some internal coordinate functionality with nmanal, but
from what I've found this functionality doesn't exist in AMBER10
anymore. If anyone knows of how to compute the Hessian in internal
coordinates, please let me know.
Thanks,
-Kevin
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Received on Tue Jan 19 2010 - 10:00:03 PST
