Hi Stelios, Does your .trr file contain velocities?
Cheers, Tsjerk On Sep 26, 2012 8:24 PM, "Stelios Karozis" <skaro...@ipta.demokritos.gr> wrote: Thanks for the response. First i tried the .trr from the simulation and the result was segmentation fault. I use g_covar for entropy estimation combined with g_anaeig command. So the use of g_covar .trr file as an input, was easy alternative .trr file to see if i will get pass the segmantation fault error. I didn t give it too much thought. Stelios Ο χρήστης Justin Lemkul <jalem...@vt.edu> έγραψε: On 9/26/12 12:55 PM, Stelios Karozis wrote: > Thanks for the suggestion. > I just tried and the p... The trajectory written from g_covar contains eigenvectors from PCA. I don't understand why you wou... -- ======================================== Justin A. Lemkul, Ph.D. Research Scientist Department ... -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
