Firefly and PC GAMESS-related discussion club


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



Re: number of atoms ( comparing Macmolplt and Chemcraft )

Alex Granovsky
gran@classic.chem.msu.su


Dear Masoud,

looks like a bug in Macmolplt to me.

All the best,
Alex


On Fri Mar 4 '16 11:52am, Masoud Nahali wrote
---------------------------------------------
>>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


[ Previous ] [ Next ] [ Index ]           Sat Mar 5 '16 4:02pm
[ Reply ] [ Edit ] [ Delete ]           This message read 482 times