Dechang Li wrote: > Dear all, > > After running the g_chi, a file named as "order.xvg" is generated. In > this > file, I found that there are S2min and S2max values for each amino acid > residue. > > What is the difference between S2 min and max? > Here is part of my order.xvg > > @ s0 legend "S2Min" > @ s1 legend "S2Max" > @ s2 legend "Phi" > @ s3 legend "Psi" > @ s4 legend "Omega" > #Res. S2Min S2Max Phi Psi Omega > 1 0.833 0.871 0.871 0.833 0.000 > 2 0.746 0.974 0.746 0.938 0.974 > 3 0.909 0.977 0.961 0.909 0.977 > 4 0.902 0.975 0.902 0.969 0.975 > 5 0.965 0.980 0.965 0.980 0.978 > 6 0.960 0.977 0.977 0.960 0.973 > 7 0.945 0.977 0.945 0.977 0.975 > 8 0.971 0.976 0.975 0.971 0.976 > 9 0.877 0.983 0.983 0.877 0.977 > 10 0.855 0.976 0.855 0.963 0.976 > 11 0.923 0.978 0.977 0.923 0.978 > 12 0.831 0.974 0.831 0.967 0.974 > > You may want to read the original reference: D. van der Spoel and H.J.C. Berendsen: Molecular dynamics simulations of Leu-Enkephalin in water and DMSO Biophys. J. 72 pp. 2032-2041 (1997) > > Thanks alot!!! > > > > > > Best regards, > 2009-1-3 > > > ========================================= > Dechang Li, PhD Candidate > Department of Engineering Mechanics > Tsinghua University > Beijing 100084 > PR China > > Tel: +86-10-62773779(O) > Email: [email protected] > ========================================= > > > > _______________________________________________ > gmx-users mailing list [email protected] > 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
-- David van der Spoel, Ph.D., Professor of Biology Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University. Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755. [email protected] [email protected] http://folding.bmc.uu.se _______________________________________________ gmx-users mailing list [email protected] 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
