Dear users, I did not get any response in my last email. Any help will be appreciated.
Thanks in advance 2013/2/22 Ahmet yıldırım <[email protected]> > Dear users, > > I performed MD simulation of 400 ns of a structure. I used the cosine > content to check whether the simulation is not converged. I used last 100 > and 50 ns of trajectory to the analysis, respectively. The results were > very similar to each other.The cosine contents of the first ten principal > components are as follows. The cosine contents of the principal components > are very small but one. Why is the second cosine content differs from the > others? What could be the reason for this? And do you think simulation > has reached convergence? > > The cosine contents of last 50 ns: > 1 0.00685769 > 2 0.137028 > 3 0.00139929 > 4 0.00903137 > 5 0.0180072 > 6 0.0128686 > 7 0.00154502 > 8 9.71793e-05 > 9 0.00485945 > 10 0.00202377 > > Thanks in advance > -- > Ahmet Yıldırım > -- Ahmet Yıldırım -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
