[gmx-users] grompp error with new format of angletypes

Hyunjin Kim hyunjink at andrew.cmu.edu
Sun Apr 3 03:02:08 CEST 2011


When I generated bond parameters as following and ran "grompp", then I had
an error messages "No default Angle types"

[ angletypes ]
; i     j       k       func    th0     cth     ub0     cub
OST     CST     OST     5       180.0000        25104.0 0.0     0.0
CS      SS      FE      5       100.6   418.4   0.0     0.0

When "func" number was chosen to "1" and removed "ub0" and "cub" terms,
the error did not occurred. Does anyone know how to use the above angle
types in the parameter file without any error, please let me know. I
appreciate that in advance. Can this problem be related to the version of
gromacs? I am sure that gromacs I have here is 4.0. or higher, but it
might not be 4.5. or higher.



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