Hi,
Can you please state the version of cpptraj you are using, as well as the
exact input and all output/error messages? Thanks,
-Dan
On Thu, Oct 18, 2018 at 1:23 PM Maria Clelia Milletti <mmilletti.emich.edu>
wrote:
> Hello,
> I am trying to strip water molecules from a particular frame; specifically,
> I want to strip all water molecules except those within 5 angstroms of
> residues 543-566.
> After the reference and trajin commands, I use
>
> strip :WAT !(:543-566<:5.0)
>
> The run ends with an error and it does not produce a pdb file.
> Any thoughts as to how to fix the strip command?
> Thank you.
> Maria C. Milletti
> Professor of Chemistry
> 503A Science Complex
> Eastern Michigan University
> (734) 487-1183
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Received on Thu Oct 18 2018 - 16:30:02 PDT
