Dear GMX users,
In ffoplsaanb.itp, there are 8 columns.
; name bond_type mass charge ptype sigma epsilon
opls_001 C 6 12.01100 0.500 A 3.75000e-01
4.39320e-01 ; SIG
In ffG53a5nb.itp, there are 7 columns.
[ atomtypes ]
;name at.num mass charge ptype c6 c12
O 8 0.000 0.000 A 0.0022619536 1e-06
Could anyone tell me how gromacs knows to read 8 columns for oplsaa FF,
but 7 columns for gromos FF? Thanks!
Have a nice weekend!
Dongsheng
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