[gmx-users] RE: Bonds and atom-pairs in g_hbond

Hi again, I just realized that the output from g_hbond using the -num flag (by default, the file name is hbnum.xvg) also seems to make a distinction between hydrogen bonds and pairs within the distance. For example, here are the first few lines of this output file: @ s0 legend Hydrogen bonds @

Re: [gmx-users] RE: Bonds and atom-pairs in g_hbond

On 6/11/12 5:41 PM, Andrew DeYoung wrote: Hi again, I just realized that the output from g_hbond using the -num flag (by default, the file name is hbnum.xvg) also seems to make a distinction between hydrogen bonds and pairs within the distance. For example, here are the first few lines of