dear amber friends,
i had problem when i did the solvent equilibration for my molecule, it stops
after 3 to 4 ps. it shows the following error.
* NB pairs 186 4999941 exceeds capacity ( 5000000) 0
SIZE OF NONBOND LIST = 5000000
EWALD BOMB in subroutine ewald_list
Non bond list overflow!
check MAXPR in sizes.h
pls help me how to find the solution for this problem.
thanks in advance
--
S.Sundar Raman
Chemical Lab,
CLRI
Chennai-20
ph: 044-24411830
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Received on Wed Jan 04 2006 - 18:17:02 PST
