[gmx-users] Re: initial temperature ridiculously high

[Valentina]

Hi Guozhen,

I know it has been a while, BUT I am having same/similar problem with
CLAYFF. I start with a configuration optimised by CASTEP.

Have you found a solution? Did you continue using CLAYFF? I have a ClayFF.ff
available, if you want to compare.

Thanks,V



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