subject:"\[gmx\-users\] Help about g_hbond and angle cutoff"

Re: [gmx-users] Help about g_hbond and angle cutoff

2012-01-14 Thread Justin A. Lemkul

alejandro esteban blanco munoz wrote: Hi gromacs Users: I have a doubt respect to how g_hbond consider the cutoff angle (-a) Acceptor-Donnor-Hydrogen in gromacs 4.5.4. I need to evaluate the hydrogen bonds with an anble larger than 135°. The default value of the angle is cutoff in g_hbond i

[gmx-users] Help about g_hbond and angle cutoff

2012-01-14 Thread alejandro esteban blanco munoz

Hi gromacs Users: I have a doubt respect to how g_hbond consider the cutoff angle (-a) Acceptor-Donnor-Hydrogen in gromacs 4.5.4. I need to evaluate the hydrogen bonds with an anble larger than 135°. The default value of the angle is cutoff in g_hbond is 30°, so this value means that the H. bo