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Re: MPAIRS



Cameron,

This may be because of un-typically distorted/large models which require
a larger non-bonded list than currently allowed for. Variable mpairs is
calculated dynamically, and the corresponding arrays are allocated
dynamically. But this is done in advance of actually knowing exactly how
long the list needs to be; mpairs is estimated based on the total number
of atoms only.

I fixed this problem in 6v2 (the latest edition), so please download it form
our web site and try again.

Good luck,
Bozidar


> When running a two domain target modeling job an error message in the
> log file said that the MPAIRS array was too small.  What is the MPAIRS
> array, and how do I avoind this problem?
> Cameron Long