[AMBER] Amber Protonate for H++

From: Andreas Tosstorff <andreas.tosstorff.cup.uni-muenchen.de>
Date: Wed, 6 Dec 2017 18:58:19 +0100

Hi all,

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?

Any advice would be appreciated!


M.Sc. Andreas Tosstorff
Lehrstuhl für Pharmazeutische Technologie und Biopharmazie
Department Pharmazie
LMU München
Butenandtstr. 5-13 ( Haus B)
81377 München
Tel.: +49 89 2180 77059
AMBER mailing list
Received on Wed Dec 06 2017 - 10:00:02 PST
Custom Search