> Isn't there some way to turn down the VdW via a distance cutoff or so? > (EnableCutOff and SetVdWCutoff) I've never used these but hopefully they will > prevent the pairwise generation of all of the VdW terms.
Yes, exactly. -Geoff ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
