On Wed, Dec 05, 2007, JM Beames wrote:
>
> I am trying to run a transition state search using nmode in amber9. The
> molecule that I'm currently using runs happily in ntrun=1 and ntrun=4 but
> whenever I try and use ntrun=2 I get a segmentation fault.
First, this is 20-year-old code that hasn't been used much. No excuses, but
I'm not surprised that bad things might happen. When it was written, 78 atoms
was actually a lot for second-derivative analysis.
Second, can you post a test case that fails? We can't help until we can
reproduce the problem....
...thanks...dac
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Received on Sun Dec 09 2007 - 06:07:12 PST
