Dear gmx-users;<br><br>When I tried to minimize my lipid/protein system I got a "segmetation fault" error message and the mdrun program stopped, then I checked the em.log file found there was a warning "There were 2 inconsistent shifts. Check your topology". Did this warning cause the stop?.
<br><br>I searched this forum and did as told before: to add a line "pbc = xyz" to my em.mdp, and export GMXFULLPBC = 1. But I still got this two messages. I started the mdrun like $/home/xin/program/.../mdrun, and I export like $export GMXFULLPBC, did I do it in a wrong way? My system is SUSE
9.0, GMX 3.1.4, I am new to GMX and Linux, could anybody so kind tell me how to over come this problem?<br><br>Thanks in advance!<br><br>Liu Xin<br>