On Thu, Feb 04, 2016, Gustavo Seabra wrote:
>
> Could you please check in your source code, in the file
>
> “$AMBERHOME/AmberTools/src/sqm/qm2_dftb_module.F90”,
>
> what is the value of the MAXTAB parameter, in line 24? If it is still
> 700, try changing it to 1500, and recompiling.
The above change is indeed incorporated in the developers' code, and will
be in AmberTools16.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Feb 04 2016 - 11:30:03 PST
