Contributors

D. Giammona, D. Case, C. Bayly

Reference

Giammona, DA
Ph.D. thesis, University of California, Davis (1984)

Comments

Force field modifcations for united atom heme, plus flexible water
N.B.: the parameters around the iron are appropriate for a five-coordinate (deoxy) heme.
Force field parameters were adapted from D.A. Giammona, Ph.D. thesis, University of California, Davis (1984).

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Last modified Fri Jun 29 17:44:33 BST 2001