[gmx-users] Fatal error in popc simulation: Atomtype LC3 not found

[Shima Arasteh]

Dear gmx users,
I want to simulate popc in water. What I have done is:
1.Build the popc.top file using the popc.itp parameters and including gmx.ff, lipid.itp and spce.itp in it as below;


; Include forcefield parameters
#include "./gmx.ff/forcefield.itp"

; Include water topology
#include "./gmx.ff/spce.itp"

#include "lipid.itp"


[ moleculetype ]
; Name   nrexcl
POPC     3

[ atoms ]
;   nr    type   resnr  residu    atom    cgnr        charge          mass
     1     LC3       1    POP      C1       0         0.4000   15.0350    ; qtot:0.36    
     2     LC3       1    POP      C2       0         0.4000   15.0350    ; qtot:0.72 
     .
     .
     .
[ bonds ]
;  ai    aj funct
       4       5       1 0.14700E+00 0.37660E+06
       5       6       1 0.15300E+00 0.33470E+06
       6       7       1 0.14300E+00 0.25100E+06
       .
       .
       .


[ pairs ]
;  ai    aj funct
    1     6     1 
    2     6     1 
    . 

    .
    .

[ angles ]
;  ai    aj    ak funct
       4       5       6       1 0.10950E+03 0.46020E+03
       5       6       7       1 0.10950E+03 0.46020E+03
       6       7       8       1 0.12000E+03 0.39750E+03
       7       8       9       1 0.10960E+03 0.39750E+03
      
      48      49      50       1 0.11100E+03 0.46020E+03
       1       4       2       1 0.10950E+03 0.33470E+03
       2       4       3       1 0.10950E+03 0.33470E+03
       3       4       1       1 0.10950E+03 0.33470E+03
       1       4       5       1 0.10950E+03 0.37660E+03
       2       4       5       1 0.10950E+03 0.37660E+03
       3       4       5       1 0.10950E+03 0.37660E+03

[ dihedrals ]
;  ai    aj    ak    al funct   phi0     cp     mult
     1     4     5     6     1    0.0     3.76   3
    4     5     6     7     1    0.0     5.85   3
    .
    .
    .

 [ dihedrals ]
;  ai    aj    ak    al funct
      13      14      32      12       2 35.264      0.33470E+03
      15      14      17      16       2 0.00000E+00 0.16740E+03
      34      33      36      35       2 0.00000E+00 0.16740E+03
      23      24      25      26       2 0.000     167.360  


[ system ]
; name
POPC in water

[ molecules ]
; name    number
POPC     128   
SOL      3802

But I still get the "fatal error : Atomtype LC3 not found  ".  

What  is the problem? Anybody may help me please?

Thanks in advance,
Shima
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