[gmx-users] g_tcaf segmentation fault

Stelios Karozis 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.

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" <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




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