[AMBER] cpptraj: bounds command -> grid

From: Thomas Fox <thomas_fox.gmx.net>
Date: Tue, 7 Jul 2015 09:10:11 +0200


   in the Amber15 manual, the description of the bounds command claims that
   there is the possibility to define a name for future reference in e.g. the
   grid command.
   However, in the distributed source of amber14, this doesnt work - I get the
   error “not all arguments handled”. Only in the Action_Bounds.cpp file on git
   this additional argument is processed.

   So my questions:
    1. Do I miss something, or is there really a disconnect between the manual
       and the code?
    2. Has anybody a suggestion how I could perform what is suggested in the
       amber manual for the grid command to automatically set the grid
       boundaries from a set of atoms given by a mask (like in the second

   Thanks for any help,
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Received on Tue Jul 07 2015 - 00:30:03 PDT
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