[gmx-users] TFE Proper Dihedral types...

[Justin A. Lemkul]

On 5/16/12 12:36 AM, rama david wrote:
>
>
> On Tue, May 15, 2012 at 10:24 PM, Justin A. Lemkul <jalemkul at vt.edu
> <mailto:jalemkul at vt.edu>> wrote:
>
>
>
>
>     The parameters are missing from ffbonded.itp, making the implementation
>     incomplete.  You can obtain a TFE topology from ATB:
>
>     http://compbio.biosci.uq.edu.__au/atb/download.py?molid=1655
>     <http://compbio.biosci.uq.edu.au/atb/download.py?molid=1655>
>
>     -Justin
>
> Thank you Justin ..
> I obtain the topology from given link..
>
> 1. If you have some time , Could you tell me the way how to fix
>     the missing parameter from ffbonded.itp ..???
>
>

Look in the topology from ATB to see how it should be treated.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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