Firefly and PC GAMESS-related discussion club


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



Re^2: MacMolPlt 7.4.4

Alex Granovsky
gran@classic.chem.msu.su


Hi,

one can check whether the use of -legacy Firefly's 8.0.0 command line
switch results in output files that are more compatible with MacMolPlt.

Kind regards,
Alex Granovsky


On Thu Jan 17 '13 9:50am, Daniil Bratashov wrote
------------------------------------------------
>On Wed Jan 16 '13 0:28am, Masoud Nahali wrote
>---------------------------------------------
>>>Dear Friends

>>As I have checked the new release of MacMolPlt it can open the output files of Firefly but I simply want to inform and warn you that it shows the structure and the energy of the first SCF NOT the last optimized structure and its energy. Best wishes, m

>If you're using linux vesion of macMolPLt (building from source), you can apply patches from here:
http://slackbuilds.org/repository/14.0/academic/wxmacmolplt
There should be another patch to fix ff8beta incompabilities, but it is not ready yet.

[ This message was edited on Thu Jan 17 '13 at 4:19pm by the author ]


[ Previous ] [ Next ] [ Index ]           Thu Jan 17 '13 4:19pm
[ Reply ] [ Edit ] [ Delete ]           This message read 696 times