[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
or
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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