Dear Tsjerk
> Maxim,
>
> I'd guess that you're polylysine doesn't come charged without
> having any
> counterions in experiment.
Indeed, but if we are using classical non-polarisable FF
we already thrown off effects of protonation/deprotonation, charge
transfer etc,
do we?
In the experiment
On Tue, 28 Feb 2006, Tsjerk Wassenaar wrote:
Maxim,
I'd guess that you're polylysine doesn't come charged without having any
counterions in experiment. In the experiments, you're probably dealing with
hydroxide ions (and an additional amount of hydronium ions). I'd say these
will also influence
Maxim,I'd guess that you're polylysine doesn't come charged without having any counterions in experiment. In the experiments, you're probably dealing with hydroxide ions (and an additional amount of hydronium ions). I'd say these will also influence the experimental findings. Therefore, there's mor
Maxim Fedorov wrote:
Thank you for your message, but ...
It doesn't seem to answer for my particular question -
probably I should go in more details.
I am investigating the charge-driven unfolding of protonated polypetides
like poly-L-Lysine and other compbinations of
charged/neutral residials.
> --
>
> Message: 7
> Date: Mon, 27 Feb 2006 09:11:14 +0100
> From: David van der Spoel <[EMAIL PROTECTED]>
> Subject: Re: [gmx-users] Counterions: influence on protein dynamics.
> To: Discussion list for GROMACS users
> Message-ID: <[EMAIL PROTECTED]>
> Content-Type:
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