[gmx-users] Problems with g_density...

[curtchr1 at iit.edu]

Hello all,

I am currently having some troubles with g_density.  My problem is this.
 I have two trajectories, md_b and md_60, and I run g_density on them in
the following manner:

g_density -f md_b -s md_b -n popc -ed -ei popc -sl 170 -d Z -o ...
g_density -f md_60 -s md_60 -n popc -ed -ei popc -sl 170 -d Z -o ...

where I have created my charge data file, -ei popc, by hand.  In the case
of md_b, I get results plotted over my box size, 10 nm, but in the case
of md_60, the box size is extended to 52 nm.  I have checked both of the
original *.gro files from which these trajectories were generated, and they
both have identical box sizes.  Is there something else I am missing?  Thanks
for any help.

Sincerely,
Chris Curtis
Illinois Institute of Technology