<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt"><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;">If I understand correctly, $2 is the number of hydrogen bonds defined by cutoff distance and the cutoff angle. $3 is the number of pairs within the cutoff distance, but beyond the cutoff angle. You may got different number of hbonds using different cutoff distance and cutoff angle.<br>Jianguo<br><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Tahoma" size="2"><hr size="1"><b><span style="font-weight: bold;">From:</span></b> ZHAO Lina <lnzhao99@gmail.com><br><b><span style="font-weight: bold;">To:</span></b> Discussion list for GROMACS users <gmx-users@gromacs.org><br><b><span style="font-weight: bold;">Sent:</span></b> Wednesday, 16 March 2011
13:33:57<br><b><span style="font-weight: bold;">Subject:</span></b> [gmx-users] Re: g_hbond output<br></font><br><meta http-equiv="x-dns-prefetch-control" content="off">@ legend length 2<br>@ s0 legend "Hydrogen bonds"<br>@ s1 legend "Pairs within 0.35 nm"<br> 0 0 0<br> 200 0 0<br> 400 2 1<br>
600 0 3<br> 800 0 2<br> 1000 1 0<br> :<br> 50000 3 2<br><br>Here the situations, what's the $2 and $3 mean, why when $1=1000, $3=0 if the $3 means pairs.<br>
<br>I tried pymol, and on the last frame,<br>there were 4 hydrogen bonds, between 7 residues. it's different from here 3 2<br><br>Thanks and sorry for last email without my realization it sent.<br><br>lina<br>
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