[gmx-users] error 1-4 interaction

Maarten Wolf maarten_wolf at yahoo.co.uk
Thu Jul 22 09:48:55 CEST 2004

I am running simulations on a protein/water system. Until now I used cut-off for both the coulomb as the VdW interactions. However I am wondering if the Coulomb Cut-off is appropriate for my system. So I performed a simulation using PME. It starts all fine but after app 25000 steps of 0.002 ps I get the following error message:
Warning: 1-4 interaction between 272 and 275 at distance larger than 1.9
nm These are ignored for the rest of the simulation turn on -debug for
more information Wrote pdb files with previous and current coordinates
/var/spool/PBS/mom_priv/jobs/42397.ruben.SC: line 2: 17951 Segmentation
fault      mdrun -s topol.tpr
Can anybody explain to me what this error means?
Maarten Wolf

Groetjes Maarten

Luxemburglaan 7
1946 SB Beverwijk
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