Thank you for your response! I'm not sure if AmberTools19 would be compatible with the old computer I'm using. It's Red Hat Enterprise Linux 5, and the "yum install" command is broken due to some updates the previous user installed years ago, so I've been having trouble working around that to install Amber14 and AmberTools15. If I try to install AmberTools19, will it be possible to still use MMPBSA.py if I can't update or install any new compilers?
On Jul 18, 2019 7:16 AM, David A Case <david.case.rutgers.edu> wrote:
On Thu, Jul 18, 2019, A K wrote:
>
>I tried to install Amber14 and AmberTools15 ...
>
>
>How can I fix this? On the computer that I am installing this on, all I
>want to do is run MMPSA.py or MMPBSA.py.MPI. So, if I can't get the make
>test command to work, should it still be okay if I try to run MMPSA.py?
You could certainly try that. But far better is to download
AmberTools19 and install that. That will get you an up-to-date, and
equally important, standard) version of Python from Miniconda, with all
the packages required to run MMPBSA.py. (This capability wasn't added
until 2016).
...good luck...dac
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Received on Thu Jul 18 2019 - 07:30:04 PDT
