[gmx-users] Missing Interactions in [ angles ] Section in Topology

Justin A. Lemkul jalemkul at vt.edu
Tue Mar 6 20:22:48 CET 2012



Lara Bunte wrote:
> Hi
> 
> After pdb2gmx are in the [ angles ] section some lines missing and I am
> pretty sure that they are defined in my .rtp file in my force field folder.
> There are also just a few lines mission, most of the angles are in topology.
> I know the parameters so I can add it by hand to topology but what could be
> the reason for this problem?
> 
> 

What exactly is missing?  By default, pdb2gmx generates all possible angles.

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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