On Thu, Aug 21, 2014, George Green wrote:
> setBox vdw {79.406 69.278 64.074}
This is the wrong syntax. Type "help setBox" inside tleap to see the required
arguments.
You might want the "set <unit> box .... " command. See Section 12.5.38 of
the Amber Reference manual for the syntax. (Unfortunately, the "help set"
command in tleap is incomplete here; this should get fixed.)
....dac
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Received on Thu Aug 21 2014 - 13:30:02 PDT
