Hii
i am using AMBER FF in NAMD and i am getting the following error. The
problem is in the .prmtop file for which the following error is displayed
*FATAL ERROR: The periodicity of dihedral # 41 is zero!*
*
*
*i looked at the paramtop file and i found that t**he dihedral periodicity
at 41 is 0 (marked red)*
*
*
*
%FLAG DIHEDRAL_PERIODICITY
*
*
%FORMAT(5E16.8)
1.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00
3.00000000E+00
4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00
3.00000000E+00
1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00
1.00000000E+00
3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00
1.00000000E+00
2.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00
3.00000000E+00
3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00
2.00000000E+00
2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00
2.00000000E+00
2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00
2.00000000E+00
0.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00
2.00000000E+00
*
How to resolve it?
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Received on Mon Sep 17 2012 - 03:30:03 PDT
