VMD-L Mailing List

From: Luba Simhaev (luba.simhaev0703_at_gmail.com)
Date: Tue Oct 10 2017 - 15:52:41 CDT

Dear all,

I'm using the force field toolkit in VMD for parameterization of a new
compound. Currently I'm at the charges optimization stage. I have all the
interaction water gaussian LOG files. The problem is that when I upload the
gaussian log files into VMD, there is a message in the TkConsole that 'No
Mulliken charges are found'.

Any suggestion to solve this problem would be appreciated.

Thanks
Luba 

-- 
*Luba Simhaev*
*PhD Candidate*
*Chemistry **Department*
*Bar-Ilan University*