Re: [AMBER] FW: Problem running the adqmmm test, one mdcrd file only

From: David A Case <>
Date: Thu, 4 Oct 2018 11:21:11 -0400

On Thu, Oct 04, 2018, Dreab, Ana wrote:
> I'm trying to run the test for the adqmmm provided in
> $AMBERHOME/test/... and even if it is specified in the groupfille to
> generate all 4 mdcrd and restrt files (see below) I only get one of
> each: adqmmm-6-4.mdcrd.001 and adqmmm-6-4.mdcrd.001, but all 4 mdout and
> mdinfo files.

I'm assuming you are in $AMBERHOME/test/qmmm2/adqmmm_h2o-box; if
not adjust the following as needed:

The Run.adqmmm script cleans up after itself, removing a number of files;
see line 105 of that script. Comment that line out if you want to see
all of the files.


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Received on Thu Oct 04 2018 - 08:30:04 PDT
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