Hi

I have an alcohol system and I want to calculate the number of H bonds
during the trajectory.
My atom type labels are C2-C2-C2-CO-OH-HO.  CO denotes carbon bonded to
oxygen, OH denotes alcohol oxygen, and HO denotes alcohol hydrogen.
In g_hbond how do I specify my groups to consider for H bonding. If I
uses group 0 which is the whole system it says that I have twice as many
acceptors as donors, which shouldn't be the case.

Cheers

Gavin
-- 
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

Reply via email to