Dear David,
thanks a lot for your response. I just reinstalled AmberTools to be
sure, but
$AMBERHOME/AmberTools/src/protonate
does not exist. Any chance that it's somewhere else? Or that I did
something wrong during installation?
Best,
Andy
On 12/06/2017 08:14 PM, David A Case wrote:
> On Wed, Dec 06, 2017, Andreas Tosstorff wrote:
>> I am trying to install H++ locally. The program requires the Amber
>> program called "Protonate" which apparently is not included in
>> AmberTools 16. Can you suggest how to work around this problem? Can I
>> get ahold of the protonate files and use them with the AmberTools 16
>> install? Should I install AmberTools 15 on top of 16? Or does it only
>> come with the full Amber MD program?
> It's there in AmberTools17 (or AmberTools16), just not built by default. Do
> this:
>
> cd $AMBERHOME/AmberTools/src/protonate
> make install
>
> ...good luck....dac
>
>
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--
--
M.Sc. Andreas Tosstorff
Lehrstuhl für Pharmazeutische Technologie und Biopharmazie
Department Pharmazie
LMU München
Butenandtstr. 5-13 ( Haus B)
81377 München
Germany
Tel.: +49 89 2180 77059
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Received on Thu Dec 07 2017 - 02:00:02 PST
