"surface" and VDW radius

Phoebe Rice phoebe at VGER.NIDDK.NIH.GOV
Mon May 6 20:43:32 EST 1996


The "surface" command looks like a handy way to calculate
changes in surface area on forming interfaces etc. - but
after comparing the results with the output of ACCESS I
realized that the standard parameter set isn't quite 
appropriate.  The non-polar atoms are padded for assumed
hydrogens, but not the polar ones (especially if you
blindly follow the manual and delete the hydrogens).
Has anybody editted the usual parameters to account for 
this?
			Thanks,
			Phoebe
-------------------------------------------------------
	Phoebe Rice
	(301) 402 4497 (phone) / (301) 496 0201 (fax)
	Phoebe at vger.niddk.nih.gov
	http://www-mslmb.niddk.nih.gov/phoebe_rice.html



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