Hi, On Friday, 22. February 2008 14:51, [EMAIL PROTECTED] wrote: > > Thank you very much for your answer! I use the 43a1 force field. Here are > two references of comparative force field studies that suggest that > gromos-g96 favours beta sheets. I would be interested in any other study > with similar or different conclusions. > > Yoda, T.; Sugita, Y. & Okamoto, Y. Secondary-structure preference of > force-fields for proteins evaluated by generalized-ensemble simulations > Chemical Physics, 2004, 307, 269-283 > > Yuguang, M.; Kosov, D. S. & Stock, G. Conformational Dynamics of Trialanine > in Water. 2. Comparison of AMBER, CHARMM, GROMOS, and OPLS Force Fields to > NMR and Infrared Experiments J Phys Chem B, 2003, 107, 5064-5073
another reference: Rueda, Manuel; Ferrer-Costa, Carles; Meyer, Tim; Pérez, Alberto; Camps, Jordi; Hospital, Adam; Gelpí, Josep Lluis; Orozco, Modesto A consensous view to Protein Dynamics Proc. Natl. Acad. Sci USA (2007), 104, 796-801. Greetings, Florian -- ------------------------------------------------------------------------------- Florian Haberl Computer-Chemie-Centrum Universitaet Erlangen/ Nuernberg Naegelsbachstr 25 D-91052 Erlangen Telephone: +49(0) − 9131 − 85 26573 Mailto: florian.haberl AT chemie.uni-erlangen.de ------------------------------------------------------------------------------- _______________________________________________ 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
