[gmx-users] H-bond autocorrelation doubts

bipin singh bipinelmat at gmail.com
Mon Feb 28 14:36:46 CET 2011


I am usng g_hbond to calculate H bond auto correlation during the simulation
for two residues in my system, I have two doubts regarding this:

1)How to use -acflen to calculate autocorrelation for all the frames instead
of half of the frames
2) What is the use of -temp option in calculating the autocorrelation
because it is giving same result whether you use 298K or 500K

I have read the manual but I am not clear about these functions.
Thanks and regards
Bipin Singh
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