AMBER Archive (2008)

Subject: Re: AMBER: antechamber and charmm

From: Junmei Wang (junmwang_at_gmail.com)
Date: Thu Jul 17 2008 - 09:33:23 CDT

Hi, Alan,
That's bug has been corrected in the next version of ambertools.

Best

Junmei

On Thu, Jul 10, 2008 at 4:43 AM, Alan <alanwilter_at_gmail.com> wrote:

> Hi List,
>
> I used antechamber to generate topologies for charmm. Looking at *.prm
> I found weird this:
>
> c3 ca ca ca 1.100 0 180.0
>
> while from gaff.dat, it is:
>
> ca-ca-ca-c3 1.1 180. 2.
>
> Basically period 2 from gaff is getting 0 in charmm file. It happend
> to all my impropers. Any special reason for that?
>
> Many thanks in advance.
> Alan
>
> --
> Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
> Department of Biochemistry, University of Cambridge.
> 80 Tennis Court Road, Cambridge CB2 1GA, UK.
> >>http://www.bio.cam.ac.uk/~awd28 <http://www.bio.cam.ac.uk/%7Eawd28><<
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