Re: [AMBER] Size limit for amber

From: Daniel Roe <>
Date: Wed, 12 Dec 2018 11:01:26 -0500

On Mon, Dec 10, 2018 at 1:44 PM Ibrahim M. Moustafa <> 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.


AMBER mailing list
Received on Wed Dec 12 2018 - 08:30:03 PST
Custom Search