[gmx-users] TFE Proper Dihedral types...
Justin A. Lemkul
jalemkul at vt.edu
Wed May 16 12:27:58 CEST 2012
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:
> 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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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