wuxiao wrote: > Dear gmx users, > While doing a NPT molecular dynamics(MD), A fatal error was given: > The X-size of the box times triclinic skew factor is smaller than the > number of DD cells times the smallest allowed cell size. > However, either NVT or NVE MD can work well. Can you give any help to > deal with this problem?
It sounds like you might have started with a density that is too low for your box size. A more complete description of your system and what you've done with it might help you get useful advice. 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
