B and T GROMACS Project

June 08, 2004

Editing Picoseconds

Hi All,
Charlie mentioned last thursday that he had edited the number of pico-seconds that the simulation ran through. How did he do that? I ask because many of the molecules sitting in the folder JoshM pointed me towards have default run times of 1000.0ps which would take days. I would really like to chop that down to 10-20ps so that I could put together my table of "the most flop consuming subroutines" with a wide selection of molecules.
Thanks.

Posted by schaejo at June 8, 2004 01:47 PM