Re: [gmx-users] Snapshot taken under certain condition

Thanks allot for all your help Arik Mark Abraham wrote: Arik Cohen wrote: Dear users, Is there a way(in the mdp file) to take a snapshot of only the C-alpha atoms along a trajectory if certain condition are met(tested every time a snapshot needs to be taken) ? If you know in advance you'l

Re: [gmx-users] Snapshot taken under certain condition

Arik Cohen wrote: Dear users, Is there a way(in the mdp file) to take a snapshot of only the C-alpha atoms along a trajectory if certain condition are met(tested every time a snapshot needs to be taken) ? If you know in advance you'll only ever want the C-alpha atoms for analysis (dangerous

Re: [gmx-users] Snapshot taken under certain condition

Thanks for all your help and rapid response. Arik Justin A. Lemkul wrote: Arik Cohen wrote: Dear users, Is there a way(in the mdp file) to take a snapshot of only the C-alpha atoms along a trajectory if certain condition are met(tested every time a snapshot needs to be taken) ? No, bu

Re: [gmx-users] Snapshot taken under certain condition

Arik Cohen wrote: Dear users, Is there a way(in the mdp file) to take a snapshot of only the C-alpha atoms along a trajectory if certain condition are met(tested every time a snapshot needs to be taken) ? No, but you could probably script it after the trajectory is run, using whatever a