Antw: Re: Re: Antw: Re: Re: [gmx-users] constant PH simulations

[Emanuel Peter]

SMA.

>>> João Henriques 07.09.11 13.09 Uhr >>>
Why don't you read the papers associated with the link everyone keeps
sending you!!!
Stop it with the autistic behavior.

http://www.gromacs.org/Documentation/How-tos/Constant_pH_Simulation

Here is the main paper regarding the CpH-MD method I'm currently using:

http://jcp.aip.org/resource/1/jcpsa6/v117/i9/p4184_s1

Here's a tip: searching google scholar a little before emailing
everyone in the list should prove useful.

Cheers,

On Wed, Sep 7, 2011 at 11:01 AM, Emanuel Peter
 wrote:
> At first I would like to say that I deeply apologize for
> the cave-like things I have said. I again say, that this
> was not the field I am deeply involved.
> From Gerrit I got a banana.
> For this guy, I am a cave-man.
>
> Thanks, for being such ready for open discussion.
>
> I did not tell that I do not want to be wrong.
> Questions, which are included in my doubts:
>
> Generalized forces and averages for H+ interchange ?
> Comparison with titration experiments ?
> Is there any experimental evidence for the rates of
> interchange ?
> Are simulation-times or the periods of interchange at
> any time realistic?
> Are equilibria sampled well, with such interchanges,
> or are there jumps in free energy by this interchange ?
> Why is there no free H+ ?
>
> Thanks for your kind and very constructive criticisms.
>
> I would appreciate, if this so-called discussion will
> find an end.
> I am deeply depressed about such comments and
> I will not take part in any users-discussion in the future.
> It makes no sense, because talking like this expresses
> the way on how science is done today. Repelling that
> person, who does not walk the common way.
> And:
>
> Maybe I have lived in a cave, but someone like you, who answers in
> such a way, IS A CAVEMAN !
>
>>>> João Henriques 07.09.11 11.30 Uhr >>>
> There is no problem in being wrong. The problem is that he wants to be
> wrong. At least 4 different researchers gave constructive input and
> this subject keeps hitting the same key. I've always been told that
> worse than not knowing, is not wanting to know.
>
> Still, I apologize for my outburst.
>
> Best regards,
>
> On Wed, Sep 7, 2011 at 1:54 AM, Mark Abraham 
> wrote:
>> On 7/09/2011 3:53 AM, João Henriques wrote:
>>>
>>> I guess someone has been living in a cave for the past decade or so...
>>
>> Please keep contributions to the mailing list constructive :-) Everyone's
>> been wrong before!
>>
>> Mark
>> --
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>
>
>
> --
> João Henriques
> --
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-- 
João Henriques
--
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