[gmx-users] Box dimension-Mdrun

[chandran karunakaran]

Dear GMX users,

  I got the following error when I run MDRUN.
I used triclinic box type using
"editconf -bt tric -f fws.gro -f fws.gro -c -d 0.85"
If it is triclinic, should we not give three different
dimensions. But in the manual, it is not clear.
I appreciate for your help. Thanks a lot in advance

Dr.C.Karunakaran


"Warning: Only triclinic boxes with the first vector
parallel to the x-axis and t
he second vector in the xy-plane are supported.
         Box (3x3):
            Box[    0]={1.#QNANe+000, 1.#QNANe+000,
1.#QNANe+000}
            Box[    1]={1.#QNANe+000, 1.#QNANe+000,
1.#QNANe+000}
            Box[    2]={1.#QNANe+000, 1.#QNANe+000,
1.#QNANe+000}
         Can not fix pbc.
Fatal error: ci = -1 should be in 0 .. -1 [FILE
C:\source\gromacs-3.1.2\src\mdli
b\nsgrid.c, LINE 210]"



		
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