VMD-L Mailing List
From: JC Gumbart (gumbart_at_physics.gatech.edu)
Date: Tue Oct 10 2017 - 18:12:32 CDT
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Please send me off-list one of your log files, so that I can see what’s going on.
Best,
JC
> On Oct 10, 2017, at 4:52 PM, Luba Simhaev <luba.simhaev0703_at_gmail.com> wrote:
>
> 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
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