[gmx-users] Warning: 1-4 interaction at distance larger than (value)

David L. Bostick dbostick at physics.unc.edu
Wed Oct 24 17:55:56 CEST 2001

I get a 1-4 interaction warning in my simulation.  I minimize the system
and bring the temperature up slowly to a target in increments of 50K.  It
runs for a while, but the warning eventually occurs again.  

Standard error says "turn on -debug for more information".  However using
-debug in grompp gives ALL 1-4 interactions.  Does anyone know of a simple
way to single out 1-4 interactions that violate the distance cutoff.

Thanks in advance for anyone with advice,

David Bostick					Office: 262 Venable Hall
Dept. of Physics and Astronomy			Phone:  (919)962-0165 
Program in Molecular and Cellular Biophysics 
UNC-Chapel Hill					
CB #3255 Phillips Hall				dbostick at physics.unc.edu	
Chapel Hill, NC 27599	           		http://www.unc.edu/~dbostick	

More information about the gromacs.org_gmx-users mailing list