[gmx-users] g_tcaf segmentation fault

[Stelios Karozis]

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" <skarozis at 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 <jalemkul at 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: skarozis at ipta.demokritos.gr
tel  : 0030 210 650 3403