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
--
==================================================
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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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