After I run ‘emc_setup.pl polymer’, it gives one warning:‘field ‘pcff’ not found; no changes’ and opls-ua is used. I am wondering how I can correctly apply the PCFF force field to build a polymer.
The easiest way to fix this problem is to set the environment variable EMC_ROOT. When you are using LINUX, you can set this variable by
export EMC_ROOT=/your/emc/version
You can make this your default by permanently adding the above to your ~/.bashrc. See ‘How to setup EMC for Windows’ for setting environment variables under Windows.
Thanks for the reply! Actually I have already set the environment variables according to the link you posted (please see screenshots below) before I tried running the script.
Hi, I also am having this problem and set up the paths similarly. Im including a picture of the error and the paths ive set up. Has anyone figured out how to fix this?
Thanks!
Please note that the environment variable EMC_ROOT does not represent a path but a directory only. It should hold the root directory of EMC only, i.e. for a UNIX-type system using BASH or similar
export EMC_ROOT=$HOME/v9.4.4
where the predefined environment variable $HOME would equal to /Users/brandon in the above screen shots. After defining the above, other additions to your path variable could be added by
export PATH=$PATH:$EMC_ROOT/bin:$EMC_ROOT/scripts
I would suggest creating an EMC folder in your home directory, in which you can add current and future versions of EMC. Thus the above root directory would become
