Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
You are not logged in.
Pages: 1
Hello,
While doing RESP charge fitting with constraint (option 6), some of the atoms have different charge than the given charge. Can anyone suggest how to work around this problem. I am using molden input file (converted from Orca gbw) as input.
Thank you !
Pages: 1