[gmx-users] Invalid order for directive atomtypes-

[Atila Petrosian]

Dear Justin,

Thanks for you quick answer,

I checked the your suggested link.

these new types and their associated parameters must appear before any
[moleculetype] directive.

In my lig.itp file, [ atomtypes ] appeared before [ moleculetype ]
directive.

[ atomtypes ]
;name  bond_type    mass    charge   ptype          sigma      epsilon
h1            h1      0.0000  0.0000  A   2.47135e-01  6.56888e-02
c3            c3      0.0000  0.0000  A   3.39967e-01  4.57730e-01
ha            ha      0.0000  0.0000  A   2.59964e-01  6.27600e-02
ca            ca      0.0000  0.0000  A   3.39967e-01  3.59824e-01
os            os      0.0000  0.0000  A   3.00001e-01  7.11280e-01
ho            ho      0.0000  0.0000  A   0.00000e+00  0.00000e+00
hc            hc      0.0000  0.0000  A   2.64953e-01  6.56888e-02
c              c      0.0000  0.0000  A   3.39967e-01  3.59824e-01
oh            oh      0.0000  0.0000  A   3.06647e-01  8.80314e-01
o              o      0.0000  0.0000  A   2.95992e-01  8.78640e-01

[ moleculetype ]
; Name            nrexcl
solute             3

Why I encountered with error?

Best,
Atila