VMD-L Mailing List

From: Andreas Kukol (a.kukol_at_herts.ac.uk)
Date: Sat Apr 17 2021 - 03:58:22 CDT

Hello,

I am trying to use QwikMD with the July 2020 version of the CHARMM36 force fields, while the build-in version seems to be from around 2012.

Would it be possible to do set-up with the QwikMD GUI and then copy the latest prm-files into the 'run' folder'?

I also noted that the topologies (rtf-files) were updated in the July 2020 version of CHARMM36, but I was unable to include those into the setup.

Many thanks
Andreas