Re: [AMBER] Memory usage of NMR COM restraints 4 times larger in amber 16?

From: David Case <david.case.rutgers.edu>
Date: Wed, 22 Mar 2017 11:24:20 -0400

On Wed, Mar 22, 2017, Paul Westphälinger wrote:
>
> I would appreciate an if this bug was recorded in some fashion, if I can
> help fix it I would be happy to help in any capacity.

We know about the problem, although I'm not sure that anyone on the
development team has a complete set of files to try to reproduce this. I know
that I was confused earlier, thinking that you were using the newer "nfe"
code.

> > I will append the two test cases.(removed the appendix..)

Not sure why you left out the test cases; the easier it is for someone
to run an example that illustrates the problem, the more likely it is that
you might get some reply.

....dac


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Received on Wed Mar 22 2017 - 08:30:04 PDT
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