On Mon, May 12, 2014, Valentina Romano wrote:
> I would like the use cheackoverlap in cptraj but is not really clear how
> it works.
We probably don't emphasize enough the help facility in cpptraj, e.g.:
in cpptraj, typing "help checkoverlap" will give you usage. In this case
is quite simple:
parm <parmtop-file>
trajin <restart file from minimization>
checkoverlap
go
Hope this helps....dac
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Received on Mon May 12 2014 - 05:00:03 PDT
