[gmx-users] g_hbond / lifetime

Dallas Warren Dallas.Warren at monash.edu
Mon Nov 8 22:42:40 CET 2010

All hydrogen bonds analysed in the index group you selected from *.ndx


Catch ya,

Dr. Dallas Warren

Medicinal Chemistry and Drug Action

Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at monash.edu

+61 3 9903 9304
When the only tool you own is a hammer, every problem begins to resemble
a nail. 


From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of shahab shariati
Sent: Tuesday, 9 November 2010 1:56 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] g_hbond / lifetime


Dear all


I used g_hbond for analysis of hydrogen bonds between protein-ligand

g_hbond -f *.xtc -s *.tpr -n *.ndx -num -g -ac -dist -ang -hx -hbn -hbm
-don -dan -life -nhbdist 


after using g_hbond, gromacs gives me: HB lifetime = 16.82 ps

this lifetime is related with what hydrogen bond? 


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