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
--
========================================
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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