[gmx-users] calculating CD spectra

Mark Abraham Mark.Abraham at anu.edu.au
Tue Apr 15 17:00:08 CEST 2008

Marieke Schor wrote:
> Hi,
> 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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