Some one told me the VEDA is not a good choice for large systems, so kindly Share some good choices for calculating %PED for such systems.
... I am concerned with a system consisting of more than 35 atoms
Regards: Ibrahim
For a molecules with few atoms, VEDA is enough to calculate PED. However, MOLVIB and GAR2PED provide you accurate results when comparing VEDA.
Dear T.Karthick as you suggested, i download MOLVIB, but i not used to it, so kindly help me that how can i generate PED from my Gauss09 output file... I mean the steps which i will follow for getting PEDs from MOLVIB... I will be thankful to you for ever. and also can i use it for small system also?
GAR2PED is the best way to calculate PED. I calculated the PED of molecule consisting more than 35 atoms through GAR2PED and the result was in good agreement with the visible results.
I downloaded GAR2PED but it didn't run on windows system. I haven't tried it on linux system yet but I am wondering how could you run it? Also I couldn't find any video on youtube on it. On the other hand VEDA was so easy I liked it.
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