From SML108@PSUVM.PSU.EDU Sun Mar 7 07:36:00 1993 Message-Id: <199303071735.AA12160@oscsunb.ccl.net> Date: Sun, 7 Mar 93 12:36 EST From: Subject: Minimum allowable interatomic separations To: chemistry@ccl.net For a united atom representation of a protein, where could I obtain a set of minimum allowable interatomic separations for non-bonded atoms? Would the summed van Der Waals radii be adequate for this purpose? In that case, what should be done for atom pairs involved in hydrogen bonding? Scott Le Grand