[gmx-users] g_hbond -dan not working

Ilya Chorny 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.



-----Original Message-----
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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