Re: [gmx-users] Continuous trajectory processing

Aaron Fafarman wrote: Hello, Thanks for reading this. I'm doing many-nanosecond simulations (GMX 3.3.1) with a 2 fs time step and I would like to analyze every single frame (or at minimum every tenth frame) of the trajectory for the presence of a hydrogen bond to one particular atom in the simul

Re: [gmx-users] Continuous trajectory processing

you have the choice of using the -dt XX option of g_hbond which will tell to analyze only every XX structure. I am not sure this is present in g_hbond. the other way is to use trjconv with the dt option again an write the frames every XX steps. On Apr 21, 2009, at 9:26 PM, Aaron Fafarman wro

[gmx-users] Continuous trajectory processing

Hello, Thanks for reading this. I'm doing many-nanosecond simulations (GMX 3.3.1) with a 2 fs time step and I would like to analyze every single frame (or at minimum every tenth frame) of the trajectory for the presence of a hydrogen bond to one particular atom in the simulation. The problem with