On Fri, Feb 04, 2005, Xiaowei (David) Li wrote:
> When I tried to minimize the energy of DNA with 24 base pairs using
> NMODE, I got " dppsv returns error code: 29" . Anyone has
> ideas about it?
Error codes from dppsv are explained in $AMBERHOME/src/lapack/dppsv.f.
To help, we would need to know more about what you did. You generally need
a pretty well-minimized structure before trying to do newton-raphson
minimization in nmode. But without details of what you actually did, it's
hard to be of much help.
....dac
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Received on Fri Feb 04 2005 - 22:52:59 PST
