[gmx-users] creating topology files

Anton Feenstra feenstra at few.vu.nl
Mon Oct 9 17:51:27 CEST 2006


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...


-- 
Groetjes,

Anton

  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
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