On Thu, Jan 20, 2022, Ming Tang wrote:
>
>Can amber20 be installed in a conda environment? Amber20 tools is working
>in conda http://archive.ambermd.org/202005/0318.html
No: we don't have a conda package for Amber itself. The pmemd program is
generally run in either parallel or CPU mode (or both), and getting a good
executable depends on which MPI stack and which GPU and Nvidia SDK one has.
So it seems hard, but probably not impossible, to provide pre-compiled
binaries.
....dac
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Received on Thu Jan 20 2022 - 04:30:03 PST
