ERROR: Fatal error: Syntax error - File AIX_GMX.itp, line 3 Last line read: '[ atomtypes ]' Invalid order for directive atomtypes
During Energy Minimization Step I am getting the above errors while running Protein-ligand Simulation in Gromacs. I have prepared the ligand parameters from Antechamber module of Amber. Kindly help me or suggest me to overcome/rectify the above error.
As the error says it's a Syntax error.
Have you seen this page?
http://statthermo.blogspot.in/2014/06/use-acpype-to-generate-gaff-topologies.html
The answer to this question can be given only researcher who conducted empirical research. I think that all empirical research must have errors. It is not possible to empirically comprehend the essence of reality.
You have to check the order you placed your atoms in the topology
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