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[ bondedtypes ]
; Col 1: Type of bond
; Col 2: Type of angles
; Col 3: Type of proper dihedrals
; Col 4: Type of improper dihedrals
; Col 5: Generate all dihedrals if 1, only heavy atoms of 0.
; Col 6: Number of excluded neighbors for nonbonded interactions
; Col 7: Generate 1,4 interactions between pairs of hydrogens if 1
; Col 8: Remove impropers over the same bond as a proper if it is 1
; bonds angles dihedrals impropers all_dihedrals nrexcl HH14 RemoveDih
1 1 9 4 1 3 1 0
This gives us the default proper and improper function type and some other stuff that we typically just assume (I think?) to have a certain value. In the future it would be nice to use this information.
The text was updated successfully, but these errors were encountered:
This gives us the default proper and improper function type and some other stuff that we typically just assume (I think?) to have a certain value. In the future it would be nice to use this information.
The text was updated successfully, but these errors were encountered: