Sybyl FF followon
Before I get flamed for forgetting the underlying physics...
Granted, the VdW term "covers" dispersion forces (which makes
neg E terms ok), but...
1) Is the force field able to "accurately" treat these - i.e. is the
VdW cutoff a computational or a methodological requirement?
2) What is a reasonable cutoff - the paper lists 8 A, but should
this be lower/higher?
3) Has the FF changed/evolved since the paper?
*sigh* I guess I should check deeper into the library before posting...
jle[ AT ]world.std.com
P.S. The asbestos undies still fit... :-)