Dear all,
I want to visualize solvent(water) distributions around
one solute molecule.
I do molecular dynamics calculation with Amber8 program.
So I got the following ouput file using grid command of
Ptraj module to analyze trajectories.
This line is ignored
1
rdparm generated grid density
100
-49 50
100 -49
50 100 -49
50
30.000 30.000
30.000 90.000
90.000 90.000
ZYX
-49
0.00000 0.00000
0.00000 0.00000
0.00000 0.00000
0.00000 0.00000
0.00000 0.00000
0.00000 0.00000
0.00000 0.00000
0.00000 0.00000
0.00000 0.00000
I think the output is in the format of a XPLOR formatted
contour file and can visualize this output data
within chimera soft ware. But I don’t know how to treat
this out put file in chimera .
Can I use this file directory in chimera or have to do
anything else before I use chimera?
Thanks
Atsutoshi