Re: [AMBER] PROTEIN-DNA rmsd plot

From: David A Case <david.case.rutgers.edu>
Date: Mon, 4 Jan 2021 08:19:42 -0500

On Mon, Jan 04, 2021, Syeda Amna Arshi wrote:

>The cpptraj command doesn't read the correct order of nc files for input,
>that command with wildcard read the .nc files as follows:
>md1000.nc
>md1001.nc
>md1002.nc
>md1003.nc
>md1004.nc
>md1005.nc
>md1006.nc
>md1007.nc
>md1008.nc
>md1009.nc
>md100.nc
>md1010.nc
>md1011.nc
>md1012.nc
>md1013.nc
>md1014.nc
>md1015.nc
>md1016.nc
>md1017.nc
>md1018.nc
>md1019.nc
>md101.nc and so on...
>please suggest the cpptraj command for *combining the 2500 nc files.*

The "simple" solution is to make each of the files have a number that is
zero-padded to 4 digits, i.e change mdc100.nc to mdc0100.nc. Then file
globbing will give you the order that you want.

...dac

[As per usual, Dan will probably have a better solution....]

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Received on Mon Jan 04 2021 - 05:30:03 PST
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