Enclosed you can see input and output file of a FF calculation. If you open these file using Macmolplt it will show 40 and 39 atoms respectively. The exact number of atoms is 39 !
But Chemcraft shows the number of atoms for both input and output files correctly.
Is there something wrong in the input file that makes Macmolplt read the file incorrectly or a bug in Macmolplt inherently ?
|This message contains the 1291 kb attachment|
[ BC.zip ] input and output files