Dcd file and VMD

[Daniele Passerone]

Dear Cp2k developers,

I use FIST on Cp2k version 2.0.0, with a system in a monoclinic cell
that I specify
by giving the three vectors A,B and C.
Indeed, in the output I get

INITIAL CELL ANGLS[deg]    =      0.9000000E+02   0.9000000E+02
0.1199999E+03

The corresponding .dcd file contains in the array cell(6) only the
diagonal part of the cell (I read it with a Fortran program), so that
when it is read by vmd the periodic boundary conditions are wrong.
By the way, the
> molinfo 0 set alpha 120
command does not seem to have effect on my version of vmd (not
mentioning the fact that I should give this command for all frames).
It would be great to have the dcd file also with the cell lengths and
angle information...

Thank you in advance
Daniele Passerone