[gmx-users] fatal error

Gavin Melaugh gmelaugh01 at qub.ac.uk
Wed Mar 21 16:44:31 CET 2012

Hi all
I am trying to relax the density of an alcohol system that I have just
set up, but after a certain period of time I get the following error

Fatal error:
The X-size of the box (6.800588) times the triclinic skew factor
(1.000000) is smaller than the number of DD cells (4) times the smallest
allowed cell size (1.700000)

I have never had this error before when I ran simulations on much more
processors for the alkane analogues of the alcohol.

What is the source of this error ?



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