VMD-L Mailing List

From: Martin Jones (mkjones_at_uabmc.edu)
Date: Fri May 24 2013 - 12:55:05 CDT

Hello,

I have started the MDFF tutorial, using VMD for WIN32 1.9.1 on Windows 7 (64 bit). The MDFF is version 0.2.

When I issue the following command on page 9

mdff sim $sel -res 5 -o 4ake-target_autopsf.situs

Instead of a situs file, a dx file is created, e.g.

mdff_sim5932482353380174.dx

The first few lines of which is:

# Data calculated by the VMD volmap function
object 1 class gridpositions counts 43 61 57
origin -22.5 -34.5 -38.5
delta 1 0 0
delta 0 1 0
delta 0 0 1
...

And the DOS window also reports (a different attempt is shown):

Info) volmap: Computing bounding box coordinates
Info) volmap: grid minmax = {-23 -35 -39} {20 26 18}
Info) volmap: grid size = 43x61x57 (0.6 MB)
Info) volmap: writing file "c:mdff_sim5816507840443639.dx".

Any help would be appreciated!

Thanks,
Martin
____________________________

Martin K. Jones
University of Alabama at Birmingham