[gmx-users] calculating CD spectra
Mark.Abraham at anu.edu.au
Tue Apr 15 17:00:08 CEST 2008
Marieke Schor wrote:
> 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?
How about a (Google) search for papers that use it, or contacting the
authors on the email address in the paper?
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