Hi CCP4ers Perhaps I am hashing over old news.....but
We are having a discussion about Van Der Waals contacts and effective contacts i.e. the "real distance" of a VDW bump between say a CH and a CH group which sometimes is described as between a C and a C as i.e. 2x 1.6A and ending about 4A but not including hydrogen. Some programs list contacts, to say a ligand, as far as 6A apart and some of the simulation programs use that distance too for contacts for protein protein interactions. Does anyone know of a good paper that discusses the effective distance or has a comment on where a VDW force may begin and end or it's effective distance - though some say it never truly ends just approaches zero... G Notice: This e-mail message, together with any attachments, contains information of Merck & Co., Inc. (One Merck Drive, Whitehouse Station, New Jersey, USA 08889), and/or its affiliates (which may be known outside the United States as Merck Frosst, Merck Sharp & Dohme or MSD and in Japan, as Banyu - direct contact information for affiliates is available at http://www.merck.com/contact/contacts.html) that may be confidential, proprietary copyrighted and/or legally privileged. It is intended solely for the use of the individual or entity named on this message. If you are not the intended recipient, and have received this message in error, please notify us immediately by reply e-mail and then delete it from your system.
