Dear all gmx users and developers,
The structure of mine is:
C-C-C-C-C-C-C-C-C=C-C-C-C-C-C-C-C-C-O
|
C-C-C-C-C-C=C-C-C=C-C-C-C-C-C-C-C-C=O
# # * # #
I use opls_142 for the carbon labeled with symbol #
while opls_136 for the carbon labeled with symbol *.
The warning appeared during grompp was at the carbon
with * symbol.
The warning statements are as follow:
warning 1 [File "p1.top" line 208]
No default Ryckaert-Bell. type, using zeros.
warning 2 [File "p1.top" line 209]
No default Ryckaert-Bell. type, using zeros.
I try the possible force field but still cant get the
correct one.
I am using OPLS-AA force field for my simulation.
Any suggestions to replace the correct value?
Any suggestions and comments are appreciated.
Thanks.
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