Re: [AMBER] Mol2 to generatee prepc and frcmod fo using Antechamer

From: David A Case <>
Date: Tue, 19 May 2020 21:25:15 -0400

On Tue, May 19, 2020, Lod King wrote:

>*But my modified compound did have the error:*
>$ antechamber -i st0.mol2 -fi mol2 -o st0.prepc -fo prepc -nc -0 -c bcc -s
>2 -at gaff2

The st0.mol2 file is missing the hydrogens in the five-membered ring.

>*So I added "-dr no" in my antechamber, and it worked fine.*

My guess is that "worked fine" is in the eye of the beholder :-)


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Received on Tue May 19 2020 - 18:30:03 PDT
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