minnale wrote:
Hi all,
I am new to gromacs, I am interested in calculate Hydrogen bonds of my
protein. So I have issued the *g_hbond command like this
g_hbond -f .xtc -s .tpr -n .ndx(Index file contain all residues
mainchain+H atoms) -num .xvg -g .log
its showed
Program g_hbond, VERSION 3.3.1
Source code file: statutil.c, line: 799
Invalid command line argument:
-g
Can you please tell where I have done mistake?
Thanks in advance for your valuable suggestions.
The error tells you exactly what the problem is. There is no such option. The
-g flag appears in newer versions of Gromacs.
-Justin
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
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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