Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Problem in Geometry optimization
I am trying to optimize the geometry of Aspirin molecule. Though I am using a cif file (attached) for atomic coordinates, but it is not being optimized. Can any body solve my problem? Input and some part of output file is attached herewith.
I am waiting your response.
| ||This message contains the 2 kb attachment|
[ Input.inp ] Input
Fri Sep 20 '13 5:42pm
This message read 851 times