[gmx-users] problem with trjconv
Mark.Abraham at anu.edu.au
Thu Mar 1 02:21:30 CET 2007
OZGE ENGIN wrote:
> First of all, thank you for your attention. I used g_hbond in order to analyze hydrogen bonds formed;but, I need a more detailed information. The command that you mentioned is capable of giving information about hydrogen bonds formed in each frame. However, I want to investigate the exact donor and acceptor groups in each frame. In this respect, I converted the xtc file to a pdb file to get all of the coordinates of both water and protein molecules.
> What should I do?
Gee I sound like a broken record. Have you looked at "man g_hbond" to
see all of its options?
More information about the gromacs.org_gmx-users