subject:"\[gmx\-users\] Question about g_hbond output"

Re: [gmx-users] Question about g_hbond output

2010-08-13 Thread Justin A. Lemkul

Jinyao Wang wrote: Hi evergyone, I analysed the number of hydrogenation bond with Gromacs 4.0.4 by running g_hbond -s md.tpr -f md.xtc -num numhbond.xvg There are 3 columns in the output files. The first column = frame The second column = H bonds The third column = pairs within 0.

[gmx-users] Question about g_hbond output

2010-08-13 Thread Jinyao Wang

Hi evergyone, I analysed the number of hydrogenation bond with Gromacs 4.0.4 by running g_hbond -s md.tpr -f md.xtc -num numhbond.xvg There are 3 columns in the output files. The first column = frame The second column = H bonds The third column = pairs within 0.35nm The third colu