[gmx-users] US perl scripts fails index error

[Justin Lemkul]

On 1/5/16 4:06 AM, Nikhil wrote:
> Thank you very much Justin,
> i fixed it,i run the script when i analyzing the summary_distance.dat i seen
> some filed is left blank,as below
> 389	3.989
> 390	4.029
> 391	4.014
> 392	
> 393	4.103
> 394	4.147
> 395	
> 396	4.188
> 397	
> 398	
> 399	4.157
> 400	4.188
> 401	4.324
> 402	4.236
> 403	4.239
> 404	
> 405	
> 406	4.275
> 407	
> 408	4.386
> 409	4.359
> 410	4.391
>
> 392,395,397,398 so on ,is there anything wrong in system?
>
>

You shouldn't get blank values.  That means something failed in the gmx distance 
execution.  Run the command on one of the failed configurations and see what the 
error is.  Just relying on a compiled output file provides you with nothing 
useful in terms of diagnostics.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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