[gmx-users] Angle parameters in Amber port and in Gromacs

George Abadir georgea at ece.ubc.ca
Fri Jun 15 20:59:15 CEST 2007

     While performing simulations of urea in water using the AMBER port 
for GROMACS, I noticed that the harmonic angle potential parameters in 
AMBER99 port (in ffamber99bon.itp) for the angle HNH 
(hydrogen-nitrogen-hydrogen) are (120,292.88), which are exactly the 
same parameters used by GROMACS but for the angle CNH 
(carbon-nitrogen-hydrogen) in the urea.itp file in the /top folder!
I was just wondering if the values in AMBER port are correct or if there 
is any possibility that the line with these parameters was written in 
the wrong place in the ffamber99bon.itp .
Thank you very much,
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