I'm a recent gromacs user and right now I'm starting to calculate velocity autocorrelation functions for a pure compound, using g_velacc. I'd like to know something more about the properties and consequences of the option -mol and what exactly the program does if the option is not included. I'm trying to obtain velocity autocorrelation functions for pure water for testing purposes and when the option -mol is included the system returns the message "core dumped".
Thanks Luis Martins
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
