[gmx-users] error in Deuterium order analysis

[Justin A. Lemkul]

Samik Bhattacharya wrote:
> hi all, i am analyzing a trajectory of a membrane protein embedded in 
> DMPC bilayer. for this i'm using deuterium order analysis where i have 
> created two different index groups for the acyl chains. now when i am 
> running g_order its giving an error message like
> 
>  
> Program g_order, VERSION 4.0.5
> Source code file: gmx_order.c, line: 362
> 
> Fatal error:
> 
> grp 1 does not have same number of elements as grp 1
> 
> can anybody tell me where this kind of error generating from? and how to 
> solve this problem? is there any problem in the index group creation? a 
> little help would be very encouraging....

Yes, your index groups are wrong.  There is a step-by-step how-to on the wiki:

http://oldwiki.gromacs.org/index.php/g_order

-Justin

> Thanking You all
> Shamik
> 
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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