Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



number of atoms ( comparing Macmolplt and Chemcraft )

Masoud Nahali
masoudnahali@gmail.com



Dear FF Users

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 ?

Sincerely Yours
Masoud Nahali
SUT

This message contains the 1291 kb attachment
[ BC.zip ] input and output files


[ Previous ] [ Next ] [ Index ]           Fri Mar 4 '16 11:52am
[ Reply ] [ Edit ] [ Delete ]           This message read 201 times