Q733 wrote: > Dear gmx-users, I have a basic question to propose: What is the > relationship between simulation time and the actual time a real process > occurs? Are they the same? Or do they have certain correlation in > certain situation?
That depends how good a model of reality your simulation is. The only way to demonstrate that you have a model where simulation time might correspond to actual time is to find some suitable experimental data, and do a simulation that demonstrates such correspondence. Then you need to be able to justify extrapolating from that correspondence to correspondence for some system where you don't have experimental data. The practical problem here is that there are not all that many sources of accurate experimental data relating to time-scales of processes that are of phenomena exhibited by a "small enough" physical system to permit an accurate MD simulation to measure the same quantity for a reasonable expenditure of computer time. I can't think of any off-hand, but maybe others can. Mark _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
