On Tue, Feb 19, 2013 at 8:19 PM, Tsjerk Wassenaar <[email protected]> wrote:
> Hi Seok Yun, > > Duh. I meant why are you trying to determine the eigenvectors and > eigenvalues of a 50k by 50k covariance matrix. How did you end up with > such a matrix, and why do you think that that matrix will help you > solve your problem? What is your problem? What is the question you're > trying to answer? And does it need to be so complex? Maybe the > solution is not including the solvent, or not including the hydrogens, > or only including backbone, or only using C-alpha. > Or fewer trajectory frames, depending what g_covar is operating on. As always, providing at the start all the relevant information you can think of will help you get a better answer. The people who help by giving free advice can do that better and faster if the people needing help participate well! Mark -- 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
