On Tue, Nov 14, 2017, Lizelle Lubbe wrote:
>
> I used the following to create pdb snapshots of my trajectory:
> trajin filename.nc
> trajout snapshot.pdb pdb offset 15 multi vdw pdbv3 conect keepext
>
> Unfortunately the pdb extension is not kept (files are named
> snapshot.pdb.1 etc) and the conect records are not written at the end
Which version of cpptraj are you using? (It's printed out at the top of the
output). Simplest explanation is that you are using old code.
Also, look in the cpptraj output to see if it says anything about arguments
not being processed.
....dac
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Received on Tue Nov 14 2017 - 05:30:02 PST
