[gmx-users] calculating CD spectra

Marieke Schor schor at science.uva.nl
Tue Apr 15 10:46:41 CEST 2008


I would like to calculate CD spectra from my simulation input and results
(41 amino acid protein simulated in GROMOS or OPLS force field).
Apparently this can be done with the MATMAC program (Fleischhauer et al.
1991; Daura et al. 2003). Are there better options (which?) and if not,
could someone help me to find this MATMAC program?

Marieke Schor

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