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.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 04 2018 - 08:30:04 PDT
