Hi Stelios, But the eigenvec.trr does not. You shouldn't be using that. So what exactly are you doing? How many frames do you have in your .trr file, what do you give for selections, etc? Please paste the exact commands and resulting output.
Cheers, Tsjerk On Thu, Sep 27, 2012 at 2:03 PM, Stelios Karozis <skaro...@ipta.demokritos.gr> wrote: > Hi Tsjerk, > I checked my .trr file and it contains the velocities, as it should. > > Stelios > > On 09/27/2012 09:12 AM, Tsjerk Wassenaar wrote: >> >> 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 ... > > > -- > ------------------ > Stelios Karozis > Research Assistant > Environmental Research Lab > IN-RAS-TES - NCSR Demokritos - Greece > email: skaro...@ipta.demokritos.gr > tel : 0030 210 650 3403 > > -- > 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 -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Biocomputing Group Department of Biological Sciences 2500 University Drive NW Calgary, AB T2N 1N4 Canada -- 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
