Re: [AMBER] problems with xleap

From: case <case.biomaps.rutgers.edu>
Date: Tue, 21 Sep 2010 07:28:23 -0400

On Tue, Sep 21, 2010, Rossella Noschese wrote:

> However, I tried the make test.sander to verify my installation of
> amber7...but it really tekes a long time (hours) in the last step
>
> cd tgtmd/change_target; ./Run.tgtmd
> SANDER: Targeted MD with changing target
>
> This step seemed to be too long and i stopped.. what do you think?

We've had lots of problems with targetted MD over the years, and you are
probably(?) using a compiler that didn't exist when amber7 was released. So
I'd certainly suggest skipping this test, and probably avoiding targetted MD.

Remember that amber7 was released more than 8 years ago; the machines and
compilers you are using to run it didn't exist back then. Please consider
updating to the current version.

....dac


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Received on Tue Sep 21 2010 - 04:30:10 PDT
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