[gmx-users] g_hbond -dan not working
ichorny at maxwell.compbio.ucsf.edu
Tue Apr 13 17:14:01 CEST 2004
I think I found the bug.
-da needs to be replaced with -dan
/* Initiate main data structure! */
hb = mk_hbdata(opt2bSet("-hbm",NFILE,fnm) || opt2bSet("-ac",NFILE,fnm),
fp = xvgropen(opt2fn("-da",NFILE,fnm),
"Donors and Acceptors","Time(ps)","Count");
When I made those changes I started getting output using -dan.
From: gmx-users-admin at gromacs.org [mailto:gmx-users-admin at gromacs.org]On
Behalf Of Ilya Chorny
Sent: Monday, April 12, 2004 4:26 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] g_hbond -dan not working
I have been trying to use the -dan option in g_hbond and I get no
output. I even tried the most recent beta version.
g_hbond -f file.trr -s file.tpr -dan -shell .5
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