Hi,
On Mon, Aug 20, 2018 at 10:54 PM Jason Swails <jason.swails.gmail.com> wrote:
>
> You have stripped out residues 1-37 and 319-<total number of residues>.
> You now have 244 residues left (it seems that your system doesn't have 318
> full residues? I would have expected 281 left if it did). These are now
> residues 1-244 since cpptraj always numbers residues from 1.
Jason's explanation is spot-on (as usual).
Note that in recent versions of CPPTRAJ you can now use the ':;'
(colon semicolon) token to use original residue numbers (even after
stripping the system), e.g.
:;38-318&!.H=
This may be more intuitive. Hope this helps,
-Dan
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Received on Tue Aug 21 2018 - 07:00:01 PDT
