Dear Gromacs community, In the [ atomtypes ] directive, according to Gromacs manual, it should have 7 seperated fields, which are name, at.num, mass, charge, ptype, c6, c12. However, when I remove the field of at.num, Gromacs still works without notifying any error. If I insert 2 fields more, it still doesn't notify error. Only when I insert 3 fields more, it start notifying error. I don't understand how Gromacs read through all the parameters and determine what is c6, c12, etc... I am looking forward to hearing from you. Thank you very much in advance. Best regards, *Lan Hoa* -- Gromacs Users mailing list
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