Open GoogleCodeExporter opened 9 years ago
Manually we can do it with wasting lot of time.
*** Instead of molecules can it be possible to have selection based criteria?
***
Original comment by rpinj...@gmail.com
on 15 Nov 2010 at 7:12
Forwarding to kritwik for comments, and assigning ownership
Original comment by tovganesh@gmail.com
on 16 Nov 2010 at 12:53
[deleted comment]
Are the coordinates for the molecule written in cube file in standard
orientation ? If so, then the min max bounding conditions will not matter as
long as the grid is equally dense for all calculations. If not, the missing
values will have to be interpolated or better recalculated within the same
level/basis. This can be done in MetaStudio, of course with a bit of work :)
Original comment by krit...@gmail.com
on 20 Nov 2010 at 10:56
Original issue reported on code.google.com by
rpinj...@gmail.com
on 15 Nov 2010 at 7:08