On 5/16/12 12:36 AM, rama david wrote:
On Tue, May 15, 2012 at 10:24 PM, Justin A. Lemkul <[email protected]
<mailto:[email protected]>> 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
--
========================================
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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