Re: [AMBER] Automatic patching failed!

From: David A Case <>
Date: Wed, 30 May 2018 08:42:42 -0400

On Wed, May 30, 2018, senal dinuka wrote:

> I think that worked but now my AMBERHOME is set to amber16 directory, I can
> use my commands in any folder. How can I use AmberTools18 files like parmed
> and tleap without making pwd in to amber18 directory?

Basic idea is this:

    set $AMBERHOME to amber18 and put $AMBERHOME/bin in your path.
    when you want to run pmemd, use /path/to/amber16/bin/pmemd,
        (same for pmemd.cuda, pmemd.MPI)

To repeat the conlcusion of this thread for others: do not copy or link
amber16/src into the amber18 tree.


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Received on Wed May 30 2018 - 06:00:04 PDT
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