Liangzhen Zheng

2 Questions 4 Answers 0 Followers

Questions related from Liangzhen Zheng

How to extract coordination data from Gaussian09 output file?

Hi all, I need to extract the optimized geometry data to make a mol2 or PDB file. For example, I first create a structure model of a small molecule, and then I use HF/6-31G to calculate the single...

23 June 2016 4,585 11 View

How to solve Gaussian09 Error (l1.exe omode 33261 compare 7) ?

I am using Gaussian 09 to calculate molecular charges. However, I encoutered an error which I never met before. It would really nice if someone can help me out. Thanks a lot! I am using qsub job...

18 June 2016 4,173 19 View