Reply To: some application troubles when using resfile flag

[Anonymous]

Renfrew has posted the new molfile to params code:

https://files.nyu.edu/pdr2/public/for_ash.tar.gz

This tarball contains more than you need; it has a pretty good README though. You can skip down to step 5 or 6 if you already have a good molfile of your adduct. (There are also a few notes specific to a different project – you should just ignore those).

This link will stay live for a few days, but won’t be good forever, so make yourself a local copy of it.