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

2016-05-13 Thread Justin Lemkul
On 5/13/16 5:04 AM, zeineb SI CHAIB wrote: @ 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

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

2016-05-13 Thread 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