Dear gmx users,
I try to generate gro and top files using pdb2gmx, and this procedure finishs
without any error. However, when I run grompp from these files, many errors are
encountered such as:
......
ERROR 124 [file g04.top, line 20027]
No default Ryckaert-Bell. types
......
I gusess it is dihedrals that cause these errors. So I look for the line
20027 in the file g04.top. only to find that these dihedrals are C-N-H-H,
obviously wrong. How to avoid these errors? Could you give me some help to cope
with them? Thank you for attention.
Sincerely,
Chaofu Wu
_________________________________________________________________
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