GROMACS version: 2021
GROMACS modification: No
I am trying to build a topology for NMA (N-methyl acetamide) but pdb2gmx cannot find it in the database. Is NMA supported by GROMOS96 53a6, and if so under what residue name(s)? If not, what can I do to simulate NMA, which is just a combination of an ACE acetyl group and an N-methyl capping group? Multiple papers have been published with GROMOS96 simulations of NMA, so I’m thinking it must be readily accessible…
Thank you!