There is one torsion parameter that was added to tinker here that is missing from poltypes2's amoebabio18.prm for C-terminal threonines. There were actually 8 more updates as well since then so may we should just copy over the one Dr. Ponder has been updating? I am wondering how unlikely there are threonines at the C-terminal of proteins. Could be a good trivia question 😄.
Undefined Torsional Parameters :
Type Atom Names Atom Classes
Torsion 1852-C 1851-CA 1856-C 1857-OH 30 7 7 10
There is one torsion parameter that was added to tinker here that is missing from poltypes2's amoebabio18.prm for C-terminal threonines. There were actually 8 more updates as well since then so may we should just copy over the one Dr. Ponder has been updating? I am wondering how unlikely there are threonines at the C-terminal of proteins. Could be a good trivia question 😄.