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
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
