<DIV>Hello,</DIV>
<DIV> </DIV>
<DIV>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:</DIV>
<DIV> </DIV>
<DIV>Warning: 1-4 interaction between 272 and 275 at distance larger than 1.9<BR>nm These are ignored for the rest of the simulation turn on -debug for<BR>more information Wrote pdb files with previous and current coordinates<BR>/var/spool/PBS/mom_priv/jobs/42397.ruben.SC: line 2: 17951 Segmentation<BR>fault mdrun -s topol.tpr</DIV>
<DIV> </DIV>
<DIV>Can anybody explain to me what this error means?</DIV>
<DIV>Thanks.</DIV>
<DIV>Maarten Wolf</DIV><BR><BR>Groetjes Maarten<br><br>Luxemburglaan 7<br>1946 SB Beverwijk<br>06-45790607<p>
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