Any plans to wrap a charmm parameterization tool?
Thank you,
Dan
Any plans to wrap a charmm parameterization tool?
Thank you,
Dan
Hi Dan,
we don’t have any charmm parameterization tool in our plans. To be honest, I’m just familiar with CGenFF, and afaik, it cannot be downloaded and used as a command line tool. If you know a tool able to do that, please tell us!
Thanks for your interest!
-Adam-
Hi Adam,
This looks interesting. https://brooks.chem.lsa.umich.edu/index.php?page=match&subdir=articles/resources/software
Thank you,
Dan
Mmmm, didn’t know about it. Perl script from 2011… I like it!!
Will take a look!
Thanks Dan!
-Adam-