VMD-L Mailing List

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Wed Jan 19 2022 - 08:39:20 CST

Hi all
The webserver CGenFF at Maryland Uni (https://urldefense.com/v3/__https://cgenff.umaryland.edu/__;!!DZ3fjg!vLvLHmvy59tp9YzWwqhoKpfiyk2S4JrHgRRiL-HSUh6VWLszKfmB4-moW3C8PWnujg$ )
currently generates .str files with the indication

* Toppar stream file generated by
> * CHARMM General Force Field (CGenFF) program version 2.5
> * For use with CGenFF version 4.5
> *
> read rtf card append
> * Topologies generated by
> * CHARMM General Force Field (CGenFF) program version 2.5
>

My question is where to find that CGenFF v. 4.5?
>From https://urldefense.com/v3/__http://mackerell.umaryland.edu/charmm_ff.shtml__;!!DZ3fjg!vLvLHmvy59tp9YzWwqhoKpfiyk2S4JrHgRRiL-HSUh6VWLszKfmB4-moW3CLRrhK9Q$
toppar_c36_jul21 has CGenFFv4.6
toppar_c36_jul20 has CGenFFv4.4

and I was unable to find any toppar_c36 file in between.

Thanks for advice

francesco pietra