How Much Time Is Required For 1 Nanosecond Md Simulation.

Question

[Naren]

I cannot access any good workstation right now. What amount of time is expected for 1 nanosecond MD simlulation of a 100 Amino acid protein molecule on My desktop?
(8 GBs of RAM, 4 Giga Hz 8 core processor ) using well known free tool like gromacs.

[Pappu]

It should not take more than a few hours if your compile gromacs.

Answer 1

[João Rodrigues]

It depends on your system.. what solvent? what forcefield? what cutoffs? what treatment of electrostatics?

1 ns can be usually reached under 1 day with a good multicore machine and a nicely setup system.