a small problem: my _entire_molecule_ rotates about the chosen torsion angle when i use tor_gen (i.e. all the atoms of the molecule move _except_ the pair defining the rotating bond). shouldn't the atoms at one end of the torsion angle remain fixed while the atoms at the other end move with the rotating bond? what am i missing or forgetting to do here? i'm stumped. art -- Arthur J. Weaver art@hklresearch.com hkl Research, Inc. 733 Seventh Avenue SW Rochester MN 55902 USA tel: 507.280.9882 fax: 507.280.9826 "What is the secret of life?" I asked. ... "Protein", the bartender declared. "They found out something about protein." > Kurt Vonnegut, _Cat's Cradle_ <
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