AMBER Archive (2009)

Subject: Re: [AMBER] charge derivation for ATP molecule using antechamber

• Previous message: Ross Walker: "[AMBER] RE: errors on remd"
• In reply to: prachi munjal: "[AMBER] charge derivation for ATP molecule using antechamber"
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On Fri, Jan 23, 2009, prachi munjal wrote:
>
>
> antechamber -i ATP_1.mol2 -fi mol2 -o ATP_1charges.mol2 -fo mol2 -c bcc -nc
> -4.0

Works fine for me. What version of antechamber are you using?

{Note, the argument to -nc should be "4" not "4.0", but on my machine,
either one works.}

....dac

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• Previous message: Ross Walker: "[AMBER] RE: errors on remd"
• In reply to: prachi munjal: "[AMBER] charge derivation for ATP molecule using antechamber"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]