On Fri, Nov 25, 2011, Jio M wrote:
>
> Is it possible to increase decimal places for charges (from four to
> six decimals) in mol2 file generated from top2mol2?
Edit line 367 in top2mol2.c (in the AmberTools/src/antechamber directory)
and recompile.
....dac
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Received on Fri Nov 25 2011 - 09:30:04 PST
