VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Tue Jan 10 2017 - 04:18:44 CST

Use catdcd (http://www.ks.uiuc.edu/Development/MDTools/catdcd/) to first
get a small part of your big trajectory. Download/Visualise it to see if
the trajectory is in tact.
After you ensure that the trajectory is intact - you can do one of three
things:

1) rsync - the whole thing (as already suggested)
2) use catdcd coupled with index files to get a desolvated trajectory
(assuming your work only requires the protein and not waters) which would
make the 14GB drop significantly to a smaller size.
3) or if water is necessary use catdcd to make smaller trajectories out of
your larger one. Say 2 trajectories each having 1/2 the frames of your
larger one i.e. if total is 5000 frames you can pack from 0 to 2499 in the
first and then 2500 till 4999 in the second. You can then download these
smaller dcds and once all of them are downloaded you can merge them
together to make 1 big trajectory (if need be)

Before 1 or 2 or 3 ensure the trajectory is intact.

Write back if this doesn't work for you.

Best,
/A


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