Re: CCL:Internal coordinat MD codes

From: Frank Herrmann <herrmann : at : odysseus.informatik.uni-stuttgart.de>
Subject: Re: CCL:Internal coordinat MD codes
Date: Tue, 2 Apr 1996 20:30:22 +0200

 Hello,
 here are two references regarding minimizations in dihedral space:
  : at : article{fantom,
 title={The program FANTOM for Energy Refinement of Polypeptides and Proteins
 Using a Newton-Raphson Minimizer in Torsion Angle Space},
 author={Thomas Schaumann and Werner Braun and Kurt W"uthrich},
 journal= BIOPOL ,
 volume={29},
 number={},
 pages={679-694},
 year=1990}
  : at : article{fantom2,
 title={Efficient Search for All Low Energy Conformations of Polypeptides by
 Monte Carlo Methods},
 author={Berthold von Freyberg and Werner Braun},
 journal= JCC ,
 volume={12},
 number={9},
 pages={1065-1076},
 year=1991}
 they refer to
  : at : article{dihderiv,
 title={Rapid Calculation of First and Second Derivatives of Conformational
 Energy with Respect to Dihedral Angles for Proteins. General Recurrent
 Equations},
 author={H. Abe and W. Braun and T. Noguti and N. Go},
 journal={Computers \& Chemistry},
 volume={8},
 number={},
 pages={239},
 year=1984}
 for the calculation of the derivatives.
 Regards,
 -----------------------------------------------
 Frank Herrmann, Computer Scientist, PhD Student
 Dept. of Molecular Biophysics 0810
 German Cancer Research Center
 Im Neuenheimer Feld 280, D-69120 Heidelberg
 Tel: (49) 6221-422336, FAX: (49) 6221-422333
 email: Herrmann : at : odysseus.informatik.uni-stuttgart.de