[gmx-users] Best FF for Morse Potential

Mark Abraham Mark.Abraham at anu.edu.au
Mon May 29 10:44:37 CEST 2006

Егоров Д.А. wrote:
> Dear Gromacs list members,
> Is it possible to choose best force field to extract bond constants to 
> reevaluate them into Morse potential parameters?

It depends what you want to use the potential for, and it is probably a 
bad idea. The bond constants are members of a parameter set, the *whole* 
of which may be a reasonable approximation to the whole of real physics 
because of the optimization process - there are no guarantees about an 
individual parameter being a reasonable approximation to part of real 


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