Re: [AMBER] Amber Protonate for H++

From: David A Case <>
Date: Fri, 8 Dec 2017 09:14:58 -0500

On Thu, Dec 07, 2017, Andreas Tosstorff wrote:
> thanks a lot for your response. I just reinstalled AmberTools to be
> sure, but
> $AMBERHOME/AmberTools/src/protonate
> does not exist.

Ouch. We have a git branch ("amber17-with-patches") that is supposed to
reflect what users have. It has the above directory, and I relied on that
in writing my earlier email. But you correct: the distribution tarball is
missing this.

I've attached the needed code. Just cd to $AMBERHOME/AmberTools/src, and
untar the attached file.

As suggested in a different email, the H++ people should really be distributing
this with their codes--Amber has moved to using "reduce", for this purpose, and
has not supported protonate for some time.


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Received on Fri Dec 08 2017 - 06:30:04 PST
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