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, but you could probably script it after the trajectory is run,
using whatever analysis tool is appropriate to evaluate your
condition, then trjconv to dump out the appropriate frame.
-Justin
Thanks
Arik
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