AMBER Archive (2005)

Subject: AMBER: non bond over flow

From: S.Sundar Raman (sundar02_at_gmail.com)
Date: Wed Dec 28 2005 - 21:50:27 CST

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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