Dear Amber Users,
I'm trying to load a specific frame set in ptraj and was wondering if there
was a quicker way to do it.
Currently, I'm loading a single frame on each line (but this takes a long
time, as I understand it, it is because it has to reload the dataset every
time you ask to extract a frame) ie;
trajin a.dcd 5 5 1
trajin a.dcd 8 8 1
trajin a.dcd 10 10 1
so the frame numbers don't have a regular offset, so I can't take the
typical method of
trajin 1 1000 10 for 10 frame regular offsets.
Is there a way to form a list of frames to extract from the trajectory?
Something along the lines of
trajin a.dcd {5, 8, 10}
or at the very least output a specific frame list (using trajout or what
have you) from loading a single trajectory?
Thanks everyone, I hope someone can help.
Cheers,
Mark Healey
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Received on Sat Oct 26 2013 - 13:30:03 PDT
