Dear GROMACS users:
I want to simulate a complex composed by a protein and an ATP molecule, and when I use the pdb2gmx to build the topology file and transfer thepdb file to gro file, it said "Fatal error: Atom PG in residue ATP 1 not found in rtp entry with 36 atoms while sorting atoms", So how can I build the top file and gro file for ATP molecular and simulate the protein molcular and ATP molecule simultaneity?
Best wishes!
Mo-Jie Duan
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