[gmx-users] Hbond occupancy reference rate

2011-11-23 Thread larif sofiene
Greeting After doing a gormacs MD simulation and finding Hydrogen bonds,applying Justin script give me the Hbonds occupancy rate,then i have to choose the most representative structure in the simulation and show some of my interesting hydrogen bonds for publication purpose. Should i consider a refe

[gmx-users] Hbond occupancy

2011-11-18 Thread Larif Sofiene
Greeting Is there a value from it we can be sure about hbond existence in reality. For example for a hbond occupancy rate of 10% we can say that this hbond has a good chance to exist in reality an effectively participate in the protein phenomena (movement,structure...) and for another hbond occ