On Fri, May 8, 2015 at 12:12 PM, Aronica, Pietro <
pietro.aronica07.imperial.ac.uk> wrote:
> Hello,
> Did something happen to the checkoverlap command in cpptraj? Not only I
> cannot find it in the manual, but when doing "help checkoverlap" within
> cpptraj itself it gives the help text for the check command. Did the
> functionality of searching for close contacts between two masks get
> transferred to a different command? I can issue the command as I need it to
> be with an older version of ptraj, but cannot find the equivalent in
> cpptraj. What am I missing? My cpptraj says it's V15.00b.
>
​Look at the "check" and "checkstructure" commands in cpptraj, which
encapsulates what "checkoverlap" does (and adds more checks, I think). See
page 559 of the Amber15.pdf manual.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri May 08 2015 - 09:30:03 PDT
