I am somewhat of a hobby molecular modeller and have had much sucess with PCGAMESS a piece of software orginally based on GAMESS US and since 1999 an independant project developed by Moscow State University in the group of Prof Granovsky.
Until recently this software only ran on LINUX and Windows however much to my delight I recently recieved an e-mail from Prof Granovsky giving me details of the beta test for program for Firefly running on Mac OS X. I eagerly downloaded onto a quad core mac pro and registered the binaries along with Bret Bodes MacMolPlot.
The Mac version is very intuatively laid out and once the input file is generated in MacMolPlot the user simply draggs the input file to the icon corresponding to the number of required cores. I have carried out a few simple calculations and found it to be both stable and reliable.
I found a great tutorial posted here on pc gamess.
dear sir
ReplyDeletegreetings!
I am Nagarajan doing Phd in the field of "photochemical reactions of certain dyes and thier applications in solar energy conversion" in bharathidasan university.tiruchirapalli.tamilnadu.India.
i want to know about firefly.
is it available to me in free mode?
can i calculate the HOMO-LUMO energy of the dyes using this software?
can i follow the reactions involving in excited state using firefly?
is it very difficult to obtain?
please send me the answers of the above.
with regards...
Nagarajan