Dear User,
i try to perform simulation on membrane protein ( proterin + DPPC ).
And i use OPLS for protein, Berger force field for DPPC.
But after i construct this system, i cannot obtain tpr file by using grompp.
Here is my topol.top :
; protein
#include "ffoplsaa.itp"
#include "protein-opls.itp"
; membrane
#include "ffgmx.itp"
#include "lipid.itp"
#include "dppc.itp"
; Include water topology
#include "spc.itp"
[ system ]
; name
Membrane in water
[ molecules ]
; name number
Protein 1
DPPC 123
SOL 14189
here is the result:
--------------------------------------------------------------------------------------------------------------------
Fatal error:
Invalid order for directive defaults, file
""/home/gmx331/share/gromacs/top/ffgmx.itp"", line 4
--------------------------------------------------------------------------------------------------------------------
Could you please give me some suggestion? i appreciate your help.
Thanks so much!
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