On Fri, Jan 25, 2019, Debarati DasGupta wrote:
>sander -O -i min_all.in -o allmin.out -p C3N_WAT.prmtop -c C3N_WAT.inpcrd
>-r allmin.rst -x allmin.crd -ref C3N_WAT.inpcrd
It would be good to post the actual files (prmtop, inpcrd and
min_all.in) that one would need to reproduce the above problem. You
seem to have provided a bunch of other files, but that just increases
the chances of miscommunication about where the real problem lies.
...thx...dac
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Received on Mon Jan 28 2019 - 05:00:04 PST
