g_hbonds+Gromacs version 3.3
I experienced the following problems in using g_hbond of Gromacs 3.3:
1) option -sel gives a core (I was previously able with version 3.1.4 to use
2) options -acflen and -fitfn do not work (i.e. my oputput files do not change)
3) When I use options -b and -e (with -b different from 0.0) the program might
either give a core or get stuck.
#1 Updated by David van der Spoel over 13 years ago
-sel is disfunctional for now. Sorry
-b and -e work fine with the -ac flag
-acflen has no effect. Is that of concern?
-fitfn doesn't work either...
I've investigated all this stuff in a recent paper which you might want to check
David van der Spoel, Paul J. van Maaren, Per Larsson and Nicusor Timneanu:
Thermodynamics of hydrogen bonding in hydrophilic and hydrophobic media
Accepted, J. Phys. Chem. B 110, 4393-4398