Anton Feenstra wrote:
Mark Abraham wrote:

-------------------------------------------------------
Program grompp, VERSION 3.3.1
Source code file: toppush.c, line: 1180

Fatal error:
Incorrect number of parameters - found 4, expected 6 or 12.
-------------------------------------------------------


This is being caused by the R-B dihedrals. (This error message should be improved, gromacs team.) [...]


Any suggestions? This is the generic topology file parsing stuff where one doesn't necessarily known which type of function is being read, only what parameters to expect...

Well a .top file line number would be a start. I only found this because I knew 6 and 12 were magic numbers... 3 or 4 would have been a lot more work.

Clearly there's enough information been found to determine the number of parameters expected in push_bond in src/kernel/toppush.c. ftype gets assigned in a complex manner that seems amenable to at least partial reverse-lookup to me, since it is enough to permit lookup of the nrfp values reported in that error message.

Mark
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