Hello,
I would like to calculate number of contacts between two groups, for which
I am using following command:
g_hbond -f *.xtc -s *.tpr -num *.xvg -contact -b 49000 -e 50000
I am getting 0 as the output. But when I am calculating number of hydrogen
bonds between the same two groups by using the above command without
contact option I am getting 5.2 as the output.
My question is wouldn't number of contacts be higher than number of
hydrogen bonds since hydrogen bonds are subset of contacts.
Thanks in advance.
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
