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<DIV>Dear everyone:</DIV>
<DIV>I want to use gromacs to simulate the interaction between two molecules. My
system contain one ammonium and one benzene molecules. I have only obtain one
benzene molecule. I have attached my pdb file. So I want to know who can help me
about this.</DIV>
<DIV> </DIV>
<DIV>Sincerely yours,</DIV>
<DIV>Rongjian</DIV>
<DIV> </DIV>
<DIV>PDBFIL pdb file created from cpmd Wannier file:
ELF<BR>ATOM 1 C
MOL 1 -0.001
0.620 1.405 1.00 10.00<BR>ATOM 1
C MOL
1 1.214 0.616
0.703 1.00 10.00<BR>ATOM 1
C MOL
1 1.214 0.615 -0.702
1.00 10.00<BR>ATOM 1 C
MOL 1 -0.001
0.618 -1.404 1.00 10.00<BR>ATOM 1
C MOL 1
-1.215 0.623 -0.702 1.00
10.00<BR>ATOM 1 C
MOL 1 -1.215
0.625 0.703 1.00 10.00<BR>ATOM 2
H MOL
1 0.000 0.643
2.494 1.00 10.00<BR>ATOM 2
H MOL
1 2.158 0.641
1.247 1.00 10.00<BR>ATOM 2
H MOL
1 2.158 0.639 -1.247
1.00 10.00<BR>ATOM 2 H
MOL 1
0.000 0.639 -2.493 1.00
10.00<BR>ATOM 2 H
MOL 1 -2.159
0.655 -1.247 1.00 10.00<BR>ATOM 2
H MOL 1
-2.159 0.657 1.247 1.00
10.00<BR>ATOM 2 H
MOL 1 0.009
-2.971 0.845 1.00 10.00<BR>ATOM
2 H MOL
1 0.009 -2.975 -0.847 1.00
10.00<BR>ATOM 2 H
MOL 1 -0.833
-1.757 -0.003 1.00 10.00<BR>ATOM 2
H MOL
1 0.821 -1.735 -0.003 1.00
10.00<BR>ATOM 3 N
MOL 1 0.002
-2.382 -0.002 1.00 10.00</DIV></BODY></HTML>