AMBER Archive (2009)

Subject: Re: [AMBER] Antechamber generate a prep file in a wrong order...

• Previous message: Carlos Simmerling: "Re: [AMBER] How to find a protein's energy"
• In reply to: Yikan Chen: "[AMBER] Antechamber generate a prep file in a wrong order..."
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On Sun, Sep 06, 2009, Yikan Chen wrote:

> I am using antechamber to generate a prep file for a small residue from
> mol2 file. It works fine. However, the prep file chose an atom order I do
> not expect:

Save your antechamber output as a mol2 file; that should preserve atom order.

...dac

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• Previous message: Carlos Simmerling: "Re: [AMBER] How to find a protein's energy"
• In reply to: Yikan Chen: "[AMBER] Antechamber generate a prep file in a wrong order..."
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]