[Question: Building Normal Complex Amber Topology Error

[lvckyv]

My Question is...

Helloo.. I have run a simulation for a protein-ligand complex using amber99SB force field（amber 99 for protein，acpype for ligand） in GROMACS and when I tried to run gmx_MMPBSA it gave me this error, can someone help me T_T Building Normal Complex Amber topology... File "/home/linux/anaconda3/envs/gmx_MMPBSA/bin/gmx_MMPBSA", line 8, in sys.exit(gmxmmpbsa()) File "/home/linux/anaconda3/envs/gmx_MMPBSA/lib/python3.9/site-packages/GMXMMPBSA/app.py", line 98, in gmxmmpbsa app.make_prmtops() File "/home/linux/anaconda3/envs/gmx_MMPBSA/lib/python3.9/site-packages/GMXMMPBSA/main.py", line 682, in make_prmtops self.FILES.mutant_receptor_prmtop, self.FILES.mutant_ligand_prmtop) = maketop.buildTopology() File "/home/linux/anaconda3/envs/gmx_MMPBSA/lib/python3.9/site-packages/GMXMMPBSA/make_top.py", line 125, in buildTopology tops = self.gmxtop2prmtop() File "/home/linux/anaconda3/envs/gmx_MMPBSA/lib/python3.9/site-packages/GMXMMPBSA/make_top.py", line 555, in gmxtop2prmtop com_top = self.cleantop(self.FILES.complex_top, self.indexes['COM']['COM']) File "/home/linux/anaconda3/envs/gmx_MMPBSA/lib/python3.9/site-packages/GMXMMPBSA/make_top.py", line 843, in cleantop rtemp_top = parmed.gromacs.GromacsTopologyFile(ttp_file.as_posix()) File "/home/linux/anaconda3/envs/gmx_MMPBSA/lib/python3.9/site-packages/parmed/gromacs/gromacstop.py", line 346, in init self.read(fname, defines, parametrize) File "/home/linux/anaconda3/envs/gmx_MMPBSA/lib/python3.9/site-packages/parmed/gromacs/gromacstop.py", line 450, in read name, num = line.split() ValueError: too many values to unpack (expected 2) Exiting. All files have been retained.

[marioernestovaldes]

This is related to topology formatting... could you please share the topology files?

[lvckyv]

of course sir. this is the link for the topology things. Thanks in advance (https://drive.google.com/drive/folders/16zEHA03_09Xd6ZY4wQWYzlkQPB_Qgp6z?usp=sharing)