Re: [AMBER] Installing amber20 in conda

From: David A Case <>
Date: Thu, 20 Jan 2022 07:07:37 -0500

On Thu, Jan 20, 2022, Ming Tang wrote:
>Can amber20 be installed in a conda environment? Amber20 tools is working
>in conda

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


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Received on Thu Jan 20 2022 - 04:30:03 PST
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