Dear all,
I generate the ligand topology using Swiss-Param server. I generates the protein topology using Charmm 27 forcefield in Gromacs. When i am doing the Molecular Dynamics Simulation of protein ligand complex, then during the ionization step it gives a error. I also include one Mg atom in my ligand.
Fatal error:
Syntax error - File ligand.itp, line 7
Last line read:
'[ atomtypes ] '
Invalid order for directive atomtypes
Can anyone suggest me how i solved this problem.
Thanks
Justin Lemkul
http://www.gromacs.org/Documentation/Errors#Invalid_order_for_directive_xxx
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