hello amber user.,
Equilibration stopped in between, while heating the system
(DNA+Na+ions+water), from 0 k to 300 k.(increment of 15 k in each steps).
it was stopped in the 210 k to 225 k step.........
i got the following message in my output file...........
" EWALD BOMB in subroutine ewald_list
volume of ucell too big, too many subcells
list grid memory needs to be reallocated, restart sander"
can anyone tell me what does it mean?
thanks in advance
regards
fredrick.
Received on Tue Nov 26 2002 - 02:14:12 PST
