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AMBER Archive (2005)Subject: Re: AMBER: nmode error: GNORM is greater than the requested maximum
From: David A. Case (case_at_scripps.edu)
On Thu, Dec 15, 2005, zhli_2000_at_126.com wrote:
> Root-mean-square gradient of input coords is 2.899455539563160E-002
You could try a few things:
1. try additional minimizations to see if you can get around the linmin
2. use unformatted files out of sander, and into nmode. This will eliminate
3. increase the value of drms in nmode. Be sure to check that the first six
...good luck...dac
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