I'm looking for all the parameters necessary to work with the raw amber forces equation found on
http://en.wikipedia.org/wiki/AMBER which needs parameters for bonds, angles, torsions, electrostatic and vanderwalls.
Are they scattered around in different files like parm99.dat and allnuc94.in? Where are they? And how do I determine what numbers
correspond to what? For instance in parm99.dat there are lots of numbers what are they? Bond Angles? Electrostatic forces?
So far people have just refered me to the documentation.
I have looked through the docs and the file specification
and there is not enough information to let me know what the values are.
Here is a line example from parm99.dat
C -CT 317.0 1.522 JCC,7,(1986),230; AA
What are these numbers?
Can someone please help me find all the parameters I need to use the original amber force field equations?
The project is an educational simulation funded by the department of education to help improve science in the US.
www.CinematicSciences.com we are using Unity3D as an engine for the simulations.
Daniel Savage
CTO
CinematicSciences
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Received on Mon Mar 15 2010 - 14:00:02 PDT
