Hi. Does gromacs do the following?
1. I can only write down an integer with 5 digits. 2. I want to record 43.41 accurately 3. So, I wrote 4341, and remember the actual number should be 100 times smaller. 4. By writing a number with integer precision, the double preciion number 43.41 was recorded accurately. If my molecule is sufficiently small, can mixed precision gromaces provide essentially an equally good precision as double precision gromacs? (for 50 ns NVE simulation ). Thanks again. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
