29 Jul
2002
29 Jul
'02
6:14 p.m.
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