[gmx-users] kind advice needed

[Marie]

Dear Gromacs Users

I am trying to run MD using gas-phase alanine dipeptide. I am also using
ffamber99p forcefield. I am getting the error which doesnt make any sense.

 Fatal error:
 [ file
 "/home/marie/gromacs-3.3/share/tutor/aladip/../../../share/top/spc.itp",
 line 41 ]:
              Atom index (1) in settles out of bounds (1-0)

 Could you please kindly advice me on this. I am attaching all the files
 including the errors in errorLog file.

 kind regards



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