VMD-L Mailing List

From: Ondrej Marsalek (ondrej.marsalek_at_gmail.com)
Date: Mon Mar 09 2015 - 02:43:29 CDT

> it *does* write out the box dimensions. but please note that VMD does
> not store the origin of the box, so that one is reconstructed from the
> min/max information.

Oh, I see, I missed that the difference is actually the correct box
size, thank you. Still, considering that the implicit origin in VMD
and some file formats that do not store it is [0,0,0], wouldn't it be
better to to use that as the lower bound? Would you perhaps consider a
switch to optionally write the files like that?

Thanks,
Ondrej