[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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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