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From: mjyang (mjyang_at_hku.hk)
Date: Mon Feb 21 2011 - 22:09:17 CST
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Dear VMD users,
I am going to unwrap a trajectory file produced by NAMD. Since the dcd file is very large, it takes a lot of time to do this by vmd graphical mode. I think it will be faster when using the python script model.
I read the vmd mannual and found some related commands.
The script I wrote is as follows:
---------------------------
load ('psf', 'system-solv-neutral.psf', 'dcd', 'system3.dcd')
pbc -unwrap -first now
write dcd test.dcd skip 10 sel all
-----------------------------
But it halted with errors each time.
So I request your kindly help.
Many thanks.
Mingjun
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