[gmx-users] Re: error with g_dist

[Justin Lemkul]

On 8/26/13 5:47 PM, chinnu657 wrote:
> md_0_1.tpr <http://gromacs.5086.x6.nabble.com/file/n5010747/md_0_1.tpr>   -
> production simulation .tpr file
> 3HTB_clean.pdb
> <http://gromacs.5086.x6.nabble.com/file/n5010747/3HTB_clean.pdb>   - .pdb
> file after removing hz4 coordinates
> JZ4.pdb <http://gromacs.5086.x6.nabble.com/file/n5010747/JZ4.pdb>   - jz4
> coordinates
> md_0_1.gro <http://gromacs.5086.x6.nabble.com/file/n5010747/md_0_1.gro>
> -production simulation .gro file
> index.ndx <http://gromacs.5086.x6.nabble.com/file/n5010747/index.ndx>   -
> index file
>

The command:

echo 1 13 | g_dist -s md_0_1.tpr -f md_0_1.gro -n index.ndx

works perfectly fine for me with 4.5.5.  Try it and see what your outcome is.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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