AMBER Archive (2005)

Subject: Re: AMBER: ibelly in nmode

From: David A. Case (case_at_scripps.edu)
Date: Sat May 07 2005 - 11:44:21 CDT


On Thu, May 05, 2005, Dawei Zhang wrote:
>
> Does anyone have the experience of the successful application of
> ibelly option in Nmode analysis in Amber 8.0? I re-compile the nmode
> by applying the bugfix.36 and changing the parameter of memdrv in
> sizes2.h in nmode folder. But it doesn't work. I appreciate the help.

I doubt that anyone has used this option in the past 15 years or so. First,
be sure that this is really what you want to do (that is, that you know how
you would interpret the data you would get.) If so, try to prepare a test
case that illustrates the problem....just saying "it doesn't work" won't allow
anyone to help out.

...dac

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