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?
Thanks, Marieke Schor _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php