Re: NAMD feature request Hydrogenscale

From: Vincent Leroux (vincent.leroux_at_loria.fr)
Date: Wed May 30 2012 - 08:04:01 CDT

Focusing on the potential "scientific value" of making all hydrogens 4x
heavier for the sake of getting MD "just run faster with big timesteps",
how about passing the idea to the CHARMM forcefield developers in the
dedicated mailing list? ;-)

On 30/05/2012 14:14, Axel Kohlmeyer wrote:
> On Wed, May 30, 2012 at 7:16 AM, Ajasja Ljubetič
> <ajasja.ljubetic_at_gmail.com> wrote:
>>> without commenting on scientific value,
>>
>>
>> Could we hear this comment as well? (If it is not to vulgar, of course:)
>
> since i have no proper justification for
> it, i'd rather not. the world is already
> full of too many prejudices and people
> with half-knowledge or no knowledge
> blasting out opinions and speculations.
>
> axel.
>
>>
>> Best regards,
>> Ajasja
>
>
>

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