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Bug #38

-dist option does not work in g_hbond version 3.3

Added by Matt Wagner almost 14 years ago. Updated over 13 years ago.

Status:
Closed
Priority:
High
Category:
analysis tools
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

I am using the following command to find hydrogen bonds in iNOS.

g_hbond -f /Users/moosie/Projects/1NSIab/1NSIabO2_md.trr -s /Users/moosie/Projects/1NSIab/
1NSIabO2_md.tpr -n a.ndx -g hbond.log -dist hbdist.xvg

The -g option works and I get a list of hydrogen bonds, but the -dist option does not print anything. I
have tried running both options separatly, but get the same results with -g working and -dist not
working. After g_hbond finishes running, I get a segmentation fault message only when I use the -dist
option. Any suggestions?

Thank you,

Matt Wagner

hbdist.xvg (1.8 KB) hbdist.xvg Sample hydrogen bond distribution David van der Spoel, 04/01/2006 09:49 PM

History

#1 Updated by David van der Spoel over 13 years ago

Created an attachment (id=32)
Sample hydrogen bond distribution

This is from a box of water molecules. Run using
g_hbond -dist
The -g option has been removed for 3.3

#2 Updated by David van der Spoel over 13 years ago

Just FYI, I tried it on both Linux and Mac boxes, and it works as advertised.

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