On Mon, Dec 10, 2018 at 1:44 PM Ibrahim M. Moustafa <ria2.psu.edu> wrote:
>
> Thank you for the reply. I'm planning to use the pmemd.cuda for the gpu. I just
> wanted to do the minimization using sander.MPI
> For editing the suggested file, do I need to re-compile the whole package?
If you're just editing a sander file you can get away with just
recompiling sander.MPI (assuming the most recent 'configure' is the
build you want). However, in my opinion it's far safer to just
re-configure and re-compile.
-Dan
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Received on Wed Dec 12 2018 - 08:30:03 PST
