[gmx-users] g_velacc -mol

[Luis Martins]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110420/a3f0f9e3/attachment.html>