Dear Amber Users,
I recently installed Amber 14, and have been quite happily using them, until I decided to parameterize a simple metal cluster. I had done this before, but with Amber12.
I set out to do so, prepared my MCPB scripts, but then, when I started protonating, I got a core dump error. I checked into the log file, and noticed that the xml parameter files sourced by the settings.bcl file where not being read. I then checked where those files should be on the settings.bcl file. To my surprise, when I looked into the default folder (AMBERHOME/dat/mtkpp), there was no such location.
I still have my old amber 12 installation, checked there, and yep, there I've got an mtkpp folder, with the corresponding xml files inside.
The serial and parallel installation tests run perfectly, and MCPB and all the other programs related to MTK++ are installed, just not those files....
I've tried to recompile again, and the files are still missing. I really don't know where they've gone... Any help/suggestions would be really appreciated! Also, can I just copy paste the amber12 AMBERHOME/dat/mtkpp folder into the amber14 install? Can I use those files?
Thanks a lot!
Manuel
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Received on Tue Oct 07 2014 - 20:30:03 PDT
