Re: problem with minimizer

From: Victor Kwan (
Date: Wed Jun 20 2018 - 11:04:50 CDT

HI Laura,

Yes, that's how minimization works.


On 20/06/2018 8:53 AM, Laura Joana wrote:
> Dear all,
> I'm working with a molecule for which I had to fit a specific force
> field (charmm), mostly using FFTK (apart from a cmap correction). When
> I run the default minimizer (minimize command) it does not converge to
> the correct structure. Also, the output does not give any clue that
> something is wrong.
> I managed to obtain a correct minimization using the velocity
> quenching method. Has anyone here ever had this issue ?
> Best regards,
> Laura

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