[gmx-users] grompp question(caoch)

[コウ チ]

hi
 i want to run a protein mdrun in a solvent cubic(minize_box.gro).With 
minize_box.gro spc216.gro and spc.itp i have updated the target topology 
file.but when i want to make a tpr file i got a error messarge. 
fatal error : number of coordinates in coordinate file 
(minimized_water.gro, 31372) 
            does not match topology (aki.top, 0) 
   i have checked the files tail of  minimized_water.gro is 
10144SOL     OW31364   0.096   5.638   5.754 
10144SOL    HW131365   0.131   5.597   5.670 
10144SOL    HW231366   0.006   5.600   5.774 
10145SOL     OW31367   0.044   6.039   6.277 
10145SOL    HW131368  -0.015   6.119   6.281 
10145SOL    HW231369   0.059   6.004   6.370 
10146SOL     OW31370   5.625   6.663   5.886 
10146SOL    HW131371   5.724   6.652   5.877 
10146SOL    HW231372   5.585   6.577   5.918 
  6.84203   6.84203   6.84203 
and head of aki.top is 
;       File 'aki.top' was generated 
;       By user: root (0) 
;       On host: localhost.localdomain 
;       At date: Sun May 16 11:59:13 2004 
; 
;       This is your topology file 
;       LYSOZYME 
; 
; Include forcefield parameters 
#include "ffG43a1.itp" 

[ moleculetype ] 
; Name            nrexcl 
Protein             3 

[ atoms ] 
;   nr       type  resnr residue  atom   cgnr     charge       mass  typeB  
 chargeB      massB 
    1         NL      1   LYSH      N      1      0.129    14.0067   ; qtot 
0.1 
the tail of aki.top is 
[ system ] 
; Name 
LYSOZYME in water 

[ molecules ] 
; Compound        #mols 
Protein             1 
SOL                78 
SOL              9939 

it seems the numbers in two files can not match. how can i deal with it?

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