[gmx-users] pressure scaling and hard drive space
Mark Abraham
Mark.Abraham at anu.edu.au
Tue Feb 28 00:22:09 CET 2006
Brian Stephenson wrote:
> I have played around with tau_p, even increasing it to very high values
> such as 100
> and still get the pressure scaling problems. I've also energy minimized
> many times,
> to no avail. For this particular system I've been thinking there isn't
> anything very
> unphysical going on ...
Have you checked the trajectories visually? It's an obvious one that
I've known people to forget to do :-)
Mark
More information about the gromacs.org_gmx-users
mailing list