Re: Minimization doesn't stop when converged

From: Boyang Wang (pkuwangboyang_at_gmail.com)
Date: Fri Oct 07 2011 - 03:56:01 CDT

Hi Norman,

during minimization, there is no momentum or temperature, so namd is always
searching.

Best,
Boyang

On Fri, Oct 7, 2011 at 4:48 PM, Norman Geist <norman.geist_at_uni-greifswald.de
> wrote:

> Hi,****
>
> I would just like to ask if there’s a special reason why namd doesn’t have
> the feature to break the minimization when the total energy gets constant--20cf303bfbde46bee204aeb19c6f--

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