Sent to CCL by: SUBHADEEP SAHA [saha.subhadeep+/-gmail.com]
Dear all,
I have generated partial charge of each atom of a molecule using
gaussian. Now I want to generate a .mol or any other file which will
contain the co-ordinates of each atom and the respective partial
charges.I tried to write a code,but due to variety of partial charge
on the atoms I failed.Can any one of you please help me out?
--
Regards,
Subhadeep Saha
C/O Dr.Rahul Banerjee
Materials and Physical Chemistry Division
National Chemical Laboratory
Dr. Homi Bhabha Road
Pune:411008
Maharasthra
India
Ph:+91-20-2590-2387
+91-20-2590-2535
+91-20-2590-2598
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