Dear ptraj users/developers,
I want to write a new action in ptraj that requires prior knowledge of the
average coordinates. Is this possible in a single ptraj session? As I
understand the code, the trajectory is read only once and all requested
actions are performed on the current snapshot, as the "trajectory pointer"
goes through the trajectory.
Since my action needs the average coordinates *a priori*, I need to read the
trajectory twice. Can this be done in a single ptraj session?
Best regards,
Jose M. Borreguero
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Received on Mon May 24 2010 - 18:00:04 PDT
