[gmx-users] (error in MD run)

[jahanshah ashkani]

Hi,
  I have a problem in md run:
  “Fatal error: realloc for nlist->jjnr (160825344 bytes, file ns.c, line 368, nlis t->jjnr=0x0x64960020): No such file or directory”
  My .tpr and .top files are including:
   
  [ molecules ]
  ; Compound        #mols
  Protein             1
  SOL             686247
  NA+                131
   
  And .mdp file is including:
   
  title                    = 
  cpp                      = cpp
  include                  = 
  define                   = -DFLEXIBLE
  integrator               = steep
  tinit                    = 0
  dt                       = 0.001
  nsteps                   = 400
  Tcoupl                      = berendsen
  tc_grps                     = protein  sol      NA+
  tau_t                       = 0.1      0.1      0.1
  Ref_t                       = 300      300      300
  emtol                    = 0.00001
  emstep                   = 0.1
  nstcgsteep               = 1000
   
  I would be glad if someone helps me in this case.
  Thank you very much.
   
  Best,
  Jahanshah Ashkani
   
   

		
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