[gmx-users] Help with generating Arginine topology for Amber FF (Pandya, Akash)

[ABEL Stephane]

Hello 

there are not parameters and RESP charges for standalone residue such as Arg in GROMACS. So you will have to construct a rtp file for this residue and derive the corresponding RESP charges yourself. You could also do a quick in literature to see if some have already done the job for you. 

Good luck

Stefane