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simeonf Offline OP
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Hello,
I am going to be installing CHARMM in the next few days and I was researching methods that are common with the installation and I came across Ubuntu as an option. i noticed that it would change the OS to a Linux based one (assuming what I read is correct). In terms of backing up files, is there a recommended method for backing up files? In addition to my research I came across a few people who used what I assume is a parallel method where if one were on a Mac OS they were able to have a Windows OS without having to reboot. This is a link to the information if my explanation is not clear ( https://www.parallels.com/ ). My question is that if it is possible for this to be used in place of Ubuntu and other following installations needed to fully run CHARMM?
Thank you for all the help
Note - Please note that I am a undergrad and I only have experience with Python so any relations to this will help greatly

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rmv Online Content
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Most usage is on Linux systems, esp. HPC cluster systems. File system backup is typically managed by the IT staff at each site. Installation assumes some knowledge of Linux usage and conventions.

CHARMM can be compiled on MacOS, but would require the installation of a Fortran compiler. Parallel calculations would require the installation of an MPI library, built with the same Fortran compiler that will be used to compile the CHARMM code.

Windows is not used very much.

There are researchers using CHARMM at USF, so you may wish to contact them for help.


Rick Venable
computational chemist


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