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<DIV> Dear all</DIV>
<DIV> Thank you for browsing my question.When I run a K ion channel, I added DOPC bilayer membrane, at the first mdrun, Gromacs program got Range checking error:<BR></DIV>
<DIV>Explanation: During neighborsearching, we assign each particle to a grid<BR>based on its coordinates. If your system contains collisions or parameter<BR>errors that give particles very high velocities you might end up with some<BR>coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot<BR>put these on a grid, so this is usually where we detect those errors.<BR>Make sure your system is properly energy-minimized and that the potential<BR>energy seems reasonable before trying again.</DIV>
<DIV>Variable ci has value -2147483648. It should have been within [ 0 .. 24389 ]<BR> Why this error appears?</DIV>
<DIV>My em.mdp</DIV>
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<DIV> title = comp_dop_water<BR>cpp = /lib/cpp; locationof cpp on SGI<BR>define = -DFLEX_SPC<BR>freezegrps = protein<BR>freezedim = y y y<BR>constraints = none<BR>integrator = steep <BR>dt = 0.002<BR>nsteps = 3000<BR>nstlist = 10<BR>ns_type = grid<BR>rlist = 0.9<BR>coulombtype = PME<BR>rcoulomb = 0.9<BR>rvdw = 1.0<BR>fourierspacing = 0.12 <BR>fourier_nx = 0<BR>fourier_ny = 0 <BR>fourier_nz = 0<BR>pme_order = 4<BR>ewald_rtol = 1e-5<BR>optimize_fft = yes<BR>;<BR>; energy minimizing stuff<BR>;<BR>emtol = 1000.0<BR>emstep = 0.01</DIV>
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<DIV>Thank you!</DIV>
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