Hi,
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,
Regards,
George
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