[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.
Dept. Med. Biol. Chem.
The University of Toledo
Toledo OH, 43606 USA
pnagy at utnet.utoledo.edu
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