[gmx-users] box size with pressure coupling

[Erik Lindahl]

"Lynne E. Bilston" wrote:

> Erik,
>
> The gmxdump you suggested verifies that it is using the wrong box size.
>
> I use the pdb format because I have a multi-chain protein, and the gro file
> format loses the chain identifiers, which means I have to manually select
> them and colour them separately when I want pretty pictures at the end! I'm
> just lazy.

OK - I just checked it in my pre-3.1 version, but there it seems to work. I can
check it with your trajectory too, if you send me all the files (but please try to
limit the .trr file to just a couple of frames :-). Pack everything in a .tgz , and
don't reply to the list to avoid overloading everybody's mailservers!

Cheers,

Erik