Re: [gmx-users] ATOMTYPES directive

Hi, Not all force fields have all those fields, so GROMACS uses scanf style pattern matching. Look at the tables in chapter five of the reference manual for details. Mark On Fri, 28 Jul 2017 17:10 lan hoa Trinh wrote: > Dear Gromacs community, > In the [ atomtypes ]

[gmx-users] ATOMTYPES directive

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