[gmx-users] computation time

Nagy, Peter I. PNAGY at UTNet.UToledo.Edu
Wed Jun 25 17:04:01 CEST 2003

Dear Gromacs Users!

    I am a novice in these calculations, and we are going to set up a
  computer system for MD calculations.
     My typical systems consist of about 40,000 atoms including SPC water
  atoms. If I want to perform a regular MD calculation for 1-2 ns and
  perhaps fixing the bond lengths, how much real time should I expect for
  completing the calculation either on

    1. Dual Pentium 4 Xeon, 2.4 GHz, 2G RAM


    2. Dual Mac G5, 2.0 GHz, 2G RAM

   Thanks for your help.

                                         Peter Nagy

                                         Dept. Med. Biol. Chem.
                                         The University of Toledo
                                         Toledo OH, 43606 USA

                                         pnagy at utnet.utoledo.edu 
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