A good way to assign residual information for gromacs files from OPLS-AA force field generator Polypargen ??

I want to conduct all-atom MD simulations of PNIPAM oligomers to be comparable to the work by Tavagnacco in 2018 (https://doi.org/10.1039/C8CP00537K), with some variations involving different...

22 February 2024 3,268 0 View