[gmx-users] (no subject)

anna berteotti annaberte at hotmail.com
Tue Mar 1 16:15:20 CET 2005


Hallo! Thanks Dr. David for your previous help .
      I am trying to simulate a protein in
water solvent(tip5p).I am getting warnings when I am  using "steep":
WARNING 1 [file "topol.top", line 30727]:
  No default Ryckaert-Bell. types, using zeroes
WARNING 2 [file "topol.top", line 43462]:
  No default Ryckaert-Bell. types, using zeroes
WARNING 3 [file "topol.top", line 44439]:
  For minimization with LINCS constraints, lincs_iter should be 4 to 8.
Cleaning up constraints and constant bonded interactions with dummy 
particles.......(in my system there are  protein, water and two cl-)
can I leave it out or shall I change something in order to avoid any future 
problems?
thank you anna





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