On Tue, Nov 23, 2010, Jose Borreguero wrote:
>
> The AMBER manual does not specify if the box created with the "set UNIT box
> { X Y Z }" command is periodic by default. If not, then how can I "turn
> the periodic flag" on ?
If you have a box, then the prmtop files should have all the proper flags, but
you can check for yourself if you want (see the file formats page). Both
sander and pmemd default to periodic simulations, so you don't need to do
anything there.
...dac
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Received on Tue Nov 23 2010 - 07:30:05 PST
