[gmx-users] Re. Generating topology for Tetrahydrofolate within CHARMM ff

[zeineb SI CHAIB]

@ Justin

Dear Justin, 

Thank you very much for the website. 

I tried to generate my topology from the website. After many problems in my input file, it finally generated the .str file with no error/warnings found but unfortunately some penalties were not good at all (> 50 and between 10 and 50)! 

How can I fix the file?


'https://cgenff.paramchem.org/initguess/#20160513/THF_zinc_4228237.str' 


Thank you very much for your help. 

Zeineb.