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shijunqin

木虫 (小有名气)

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[求助] Lammps中in文件如何连续读入两个data文件已有1人参与

我想在in文件中读入两个data文件，可是读完第一个data文件，读入第二个data文件时就会提示 Error: cannot read_data after simulation box is defined (../read_data.cpp:170)，请各位大神指导啊？in文件部分内容和data文件如下
【in文件】
echo                      both
processors                4  4  1
package                   gpu  2  neigh  no
newton                   off  on
units                   metal
atom_style                full
bond_style                harmonic
angle_style             harmonic
boundary                p  p  m
neighbor                2  bin
neigh_modify             delay  5
neigh_modify             exclude  type  6  6

#------------create the initial model------------------------
variable                water1  string  30A_H2O.data
variable                water2  string  10A_H2O.data
read_data                ${water1}
read_data                ${water2}
group                   water1  type  1  2
variable                wax1  equal  "lx*3.1e-3"
variable                way1  equal  "ly*2.92e-3"
variable                waz1  equal  "lz*0.518"
displace_atoms          water1 move ${wax1} ${way1} ${waz1} units box

group                   water2  type  1  2
variable                wax2  equal  "lx*3.1e-3"
variable                way2  equal  "ly*2.92e-3"
variable                waz2  equal  "lz*0.6364"
displace_atoms          water2 move ${wax2} ${way2} ${waz2} units box

group                   water  union  water1  water2

【data文件1】
LAMMPS data file. msi2lmp v3.9.6 / 11 Sep 2014 / CGCMM for 30A_H2O_244^2
180000 atoms
120000 bonds
  60000 angles
   0 dihedrals
   0 impropers
6 atom types
1 bond types
1 angle types

-0.07 246.01  xlo xhi
-0.07 246.01  ylo yhi
-0.50 255.5  zlo zhi
Masses
1  15.999400 # o*
2 1.007970 # h*
3 63.546  # Cu
4 63.546  # Cu
5 63.546  # Cu
6 12  # C
Atoms # full
   1    1 1 -0.820000 12.745627803 12.404175134    2.226094393 0 0 0 # o*
   2    1 2  0.410000 12.277690607 11.622376960    1.883749467 0 0 0 # h*
   3    1 2  0.410000 12.646508661 12.951163887    1.438594828 0 0 0 # h*

【data文件2】
LAMMPS data file. msi2lmp v3.9.6 / 11 Sep 2014 / CGCMM for 10A_H2O_244^2

  60000 atoms
  40000 bonds
  20000 angles
   0 dihedrals
   0 impropers

6 atom types
1 bond types
1 angle types

#-0.07 246.01  xlo xhi
#-0.07 246.01  ylo yhi
#-0.50 255.5  zlo zhi

Masses
1  15.999400 # o*
2 1.007970 # h*
3 63.546  # Cu
4 63.546  # Cu
5 63.546  # Cu
6 12  # C
Bond Coeffs # harmonic
1 540.6336    0.9600 # o*-h*
Angle Coeffs # harmonic
1 50.0000 104.5000 # h*-o*-h*
Atoms # full
   1    1 1 -0.820000 12.745627803 12.404175134    2.226094393 0 0 0 # o*
   2    1 2  0.410000 12.277690607 11.622376960    1.883749467 0 0 0 # h*
   3    1 2  0.410000 12.646508661 12.951163887    1.438594828 0 0 0 # h*

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