Re: [AMBER] top2mol2 charges output in mol2

From: case <case.biomaps.rutgers.edu>
Date: Fri, 25 Nov 2011 12:27:32 -0500

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
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