On Wed, Jul 31, 2019, Akinpelu Olayinka wrote:
>I have been trying to run a simulation involving GTP but the antechamber
>stage is giving me the following error
>
>
>Error: cannot run "/apps/chpc/chem/amber/14/bin/sqm -O -i sqm.in -o
>sqm.out" of bcc() in charge.c properly, exit
Please look at the sqm.out file to see the actual error messages.
However, running quantum calculations on highly negative ions is
frequently very difficult. Also note that the contributed parameters
database has well-studied force field models for GTP and similar
molecules. Visit
http://ambermd.org/AmberModels.php for more info.
....dac
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Received on Wed Jul 31 2019 - 13:30:03 PDT
