Re: [AMBER] Loading .mol2 file in sleap

From: Ben Roberts <ben.roberts.geek.nz>
Date: Wed, 4 May 2011 14:26:37 -0400

Hi Rob,

On 4/5/2011, at 9:04 a.m., r smith wrote:

> Since it appears Amoeba may not recognize the atom types I'm using, what
> files would need to be modified to add parameters to Amoeba?

I think what you would need to do is write an FRCMOD file that supplies the missing parameters. For details, see:

http://ambermd.org/formats.html#frcmod

Can others clarify whether an FRCMOD file works for AMOEBA?

Ben

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Received on Wed May 04 2011 - 11:30:03 PDT
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