I’m new to EMC and trying to run a script from a previous post (Polymer with straight backbone - #4 by veld):
ethyl CC, 1,ethyl:2
methyl *C, 1,ethyl:1, 1,ethyl:2
poly alternate, 1
100 ethyl, 10, methyl, 2
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.
Thanks in advance for your help!
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
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.
I had the same problem as you, and before problem I also set the environment variables. I guess this is probably a bug in windows that needs fixing.
In addition, I’ve tried many times and found that running emc_win32 build.emc always fails, even when I’m building just the water example.