[gmx-users] g_velacc -mol

Luis Martins lfgm at uevora.pt
Wed Apr 20 18:30:50 CEST 2011

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".


Luis Martins
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