I need to perform a MD simulation using GROMACS and I need to use AMBER force field.
I see that 99sb-ildn is the most recent version included in the package. I also found a page
with user-contributed ports of more recent versions of the force field:
I wondered if I should stick with the ones provided in the GROMACS package or use the ones
provided in that page. There is an instruction there about “testing the results for correctness”.
I am not so experienced to do this therefore is there a standard procedure to do this or I should stick
with the older versions? Should I check for steric clashes or atom overlaps (any suggestion for such
a tool?). In the AMBER manual it is advised to use the more recent versions though (like Amber14SB,
the one that I would like to use).
I downloaded a 14SB port provided in the force fields page but it includes files from the older versions
unchanged. How trustworthy is it?
Thank you in advance.