AMBER Archive (2009)

Subject: Re: [AMBER] loadpdb

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Tue Sep 08 2009 - 08:39:12 CDT

this may be a problem, but won't solve the duplicate names issue. i
wonder where the names came from- they look suspiciously like atom
types.

On Tue, Sep 8, 2009 at 8:31 AM, Tom Joseph<ttjoseph_at_gmail.com> wrote:
>> How do I fix my error, or what basic mistake am I making?
>
> You didn't load any force field parameters for your ligand, so leap
> does not know what to do with the ligand atoms. To fix it, you'll need
> to obtain and load these parameters in some way, perhaps using
> Antechamber.
>
> --Tom
>
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