[gmx-users] ions different

s lal badshah shahbiochemist at yahoo.com
Wed Mar 19 05:58:15 CET 2008


Dear experts,
I have done upto minimization but faults in equilibration I am again starting the minimization, now in adding ions of sodium the following error is given, what is the reason for this.
Warning: atom names in topol.top and ions.pdb don't match (NA - Na)
Warning: atom names in topol.top and ions.pdb don't match (NA - Na)
Warning: atom names in topol.top and ions.pdb don't match (NA - Na)
Warning: atom names in topol.top and ions.pdb don't match (NA - Na)
Warning: atom names in topol.top and ions.pdb don't match (NA - Na)
WARNING 1 [file "topol.top", line 26779]:
  5 non-matching atom names
  atom names from topol.top will be used
  atom names from ions.pdb will be ignored

Hoping for early reply,
Lal badshah

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