From: Laura Joana (laurajoanalopes_at_gmail.com)
Date: Wed Jun 20 2018 - 07:53:41 CDT
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 ?
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