Hi, everyone! when I run my program, I get the error that 1-3 bond count is inconsistent. so I check my data file many times, but I can’t find any error. How could I do? Thanks very much!
Maybe it would be easier to answer if you attached the data file?
Oleg.
26.08.2013, 14:07, "lujing8556" <[email protected]...>:
Hi, everyone! when I run my program, I get the error that 1-3 bond count is
inconsistent. so I check my data file many times, but I can't find any
error. How could I do? Thanks very much!
break down the system in smaller pieces and find the part that
produces the error. rinse and repeat until you found it.
remember, the error may not be obvious and could be caused through bad
formatting.
axel.