<div>Hello all,</div>
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<div>I am trying to run my MD and I have this fatal error:</div>
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<div><br>Grid: 0 x 0 x 0 cells<br>Fatal error: ci = -1 should be in 0 .. -1 [FILE nsgrid.c, LINE 218]<br> </div>
<div>I really do not how to fix it. </div>
<div>Maybe I have a error in my dm.mdp file. Here it is:</div>
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<div>title = Ab-12R01<br>cpp = /lib/cpp<br>constraints = all-bonds<br>integrator = md<br>dt = 0.02 ; ps !
<br>nsteps = 50000 ; total 1000.0 ps. = 1 ns<br>nstcomm = 1<br>nstxout = 250 ; collect data every 0.5 ps<br>nstvout = 0
<br>nstfout = 0<br>nstlist = 5<br>ns_type = grid<br>rlist = 0.9<br>coulombtype = PME<br>rcoulomb = 0.9<br>
rvdw = 1.2<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>; Berendsen temperature coupling is on in two groups<br>Tcoupl = berendsen<br>tau_t = 0.1 0.1 0.1 ; use items in bold if you have NA+ ions
<br>tc-grps = protein sol NA+<br>ref_t = 310 310 310<br>; Pressure coupling is on<br>Pcoupl = berendsen<br>pcoupltype = isotropic<br>tau_p =
0.5<br>compressibility = 4.8e-5<br>ref_p = 1.0<br>; Generate velocites is on at 310 K.<br>gen_vel = yes<br>gen_temp = 310.0<br>gen_seed = 173529
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<div>Can someone help me?</div>
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<div>I would be most appreciative.</div>