Sorry, but i was wrong, the .trr file contains trajectories and the .gro
output file contains velocities as it should.
Stelios
On 09/27/2012 03:03 PM, Stelios Karozis 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
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