[gmx-users] g_clustsize error

[David van der Spoel]

Alif M Latif wrote:
> 
> Dear GROMACS users and developers,
> 
> I have this error when using g_clustsize. Can anyone help me explain this?
> 
> Reading frame       0 time 14000.001   Reading file m24_16ns.tpr, 
> VERSION 3.3.2 (single precision)
> Reading file m24_16ns.tpr, VERSION 3.3.2 (single precision)
> Group     0 (System) has 95851 elements
> Group     1 (T80) has  1935 elements
> Group     2 (OLY) has   646 elements
> Group     3 (SOL) has 93270 elements
> Group     4 (OLYT80) has  2581 elements
> Select a group: 4
> Selected 4: 'OLYT80'
> Last frame       1000 time 16000.001
> cmid: 1, cmax: 1, max_size: 2581
> 
> -------------------------------------------------------
> Program g_clustsize, VERSION 3.3.2
> Source code file: matio.c, line: 532
> 
> Fatal error:
> Lo: 0.000000, Mid: 1.000000, Hi: 1.000000

You only have one cluster of constant size.
Check the xvg files.
Sorry for the obscure error.
> 
> -------------------------------------------------------
> 
> Comments and suggestions are most welcomed.
> Thank You
>  
> Muhammad Alif Mohammad Latif
> 
> Department of Chemistry
> Faculty of Science
> Universiti Putra Malaysia
> 43400 UPM Serdang, Selangor
> MALAYSIA
> 
> 
> 
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-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se