[gmx-users] g_tcaf segmentation fault
skarozis at ipta.demokritos.gr
Thu Sep 27 14:18:22 CEST 2012
Sorry, but i was wrong, the .trr file contains trajectories and the .gro
output file contains velocities as it should.
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.
> On 09/27/2012 09:12 AM, Tsjerk Wassenaar wrote:
>> Hi Stelios,
>> Does your .trr file contain velocities?
>> On Sep 26, 2012 8:24 PM, "Stelios Karozis" <skarozis at ipta.demokritos.gr>
>> 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
>> 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
>> understand why you wou...
>> -- ======================================== Justin A. Lemkul, Ph.D.
>> Research Scientist Department ...
Environmental Research Lab
IN-RAS-TES - NCSR Demokritos - Greece
email: skarozis at ipta.demokritos.gr
tel : 0030 210 650 3403
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