[gmx-users] error in Deuterium order analysis

Samik Bhattacharya samikbhat at yahoo.co.in
Tue Sep 1 04:11:54 CEST 2009

--- On Mon, 31/8/09, Justin A. Lemkul <jalemkul at vt.edu> wrote:

From: Justin A. Lemkul <jalemkul at vt.edu>
Subject: Re: [gmx-users] error in Deuterium order analysis
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Date: Monday, 31 August, 2009, 7:25 PM

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:



> Thanking You all
> Shamik
Thanks Justin again for the answar......

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