[gmx-users] error

Dinesh Pinisetty dpinis1 at lsu.edu
Sun Sep 5 01:26:08 CEST 2004





hello all,
     Could anyone tell what this error means and how to sort out
this.......
Step0Warning: 1-4 interaction between 2401 and 2406 at distance larger than
2.4nm.
These are ignored for rest of the simulation turn on -debug for more
information.

Step1 Warning: pressure scaling more than 1%, mu: 6.90978e+18 6.90978e+18
6.90978e+18

Warning: Only triclinic boxes with first vector parallel to the x-axis and
the second vector in xy-plane are supported.
Box(3*3)
Box[  0]={    nan,     nan,     nan}
Box[  1]={    nan,     nan,     nan}
Box[  2]={    nan,     nan,     nan}
Can not fix pbc

Warning: Only triclinic boxes with first vector parallel to the x-axis and
the second vector in xy-plane are supported.
Box(3*3)
Box[  0]={    nan,     nan,     nan}
Box[  1]={    nan,     nan,     nan}
Box[  2]={    nan,     nan,     nan}
Can not fix pbc

Warning: Only triclinic boxes with first vector parallel to the x-axis and
the second vector in xy-plane are supported.
Box(3*3)
Box[  0]={    nan,     nan,     nan}
Box[  1]={    nan,     nan,     nan}
Box[  2]={    nan,     nan,     nan}
Can not fix pbc

Warning: Only triclinic boxes with first vector parallel to the x-axis and
the second vector in xy-plane are supported.
Box(3*3)
Box[  0]={    nan,     nan,     nan}
Box[  1]={    nan,     nan,     nan}
Box[  2]={    nan,     nan,     nan}
Can not fix pbc

Warning: Only triclinic boxes with first vector parallel to the x-axis and
the second vector in xy-plane are supported.
Box(3*3)
Box[  0]={    nan,     nan,     nan}
Box[  1]={    nan,     nan,     nan}
Box[  2]={    nan,     nan,     nan}
Can not fix pbc

Warning: Only triclinic boxes with first vector parallel to the x-axis and
the second vector in xy-plane are supported.
Box(3*3)
Box[  0]={    nan,     nan,     nan}
Box[  1]={    nan,     nan,     nan}
Box[  2]={    nan,     nan,     nan}
Can not fix pbc

Warning: Only triclinic boxes with first vector parallel to the x-axis and
the second vector in xy-plane are supported.
Box(3*3)
Box[  0]={    nan,     nan,     nan}
Box[  1]={    nan,     nan,     nan}
Box[  2]={    nan,     nan,     nan}
Can not fix pbc

Warning: Only triclinic boxes with first vector parallel to the x-axis and
the second vector in xy-plane are supported.
Box(3*3)
Box[  0]={    nan,     nan,     nan}
Box[  1]={    nan,     nan,     nan}
Box[  2]={    nan,     nan,     nan}
Can not fix pbc

Fatal error: ci=-1 should be 0 .. -1.[FILE nsgrid.c LINE 218]

What does the above error mean,How to sort it out.My .mdp file has
rvdw=1.4,rlist=0.9,rcouloumb=0.9.I am using PME type.

Please help me out in this regard.........
Thanking you,
Dinesh.





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