[gmx-users] PH value

[Nuno R. L. Ferreira]

Sorry António. Next time will be more carefull.

----- Original Message ----- 
From: <baptista at itqb.unl.pt>
To: <gmx-users at gromacs.org>
Sent: Tuesday, December 23, 2003 6:55 PM
Subject: Re: [gmx-users] PH value


> On Tue, 23 Dec 2003, Nuno R. L. Ferreira wrote:
>
> > What do you mean by " on processing protein?".
> > Are you refering to the pdb2gmx convertion?
> > Than (or then?, have to check my grammar), use -ter -lys -asp -glu -his
( or just -inter) to choose the charge to be used on the protein terminus
and on the ionizable residues.
> >
> > Regards,
> > NUno
> >
> > P.S.1. Pease check the e-mail list. Claudio Soares has posted some very
good answers/sugestions about the pH issue.
>
> Well, Wang, you should not search the gmx-users archive for "Claudio
> Soares", since you'll only find Claudio's comments on _other_ issues.
> Search instead for "pH" or "Antonio Baptista". Although me and Claudio are
> collaborating on several pH-related simulation issues, the comments sent
> to the list about this were actually mine.
>
> Best,
> Antonio
>
> >
> > P.S.2. BTW, merry christmas to all you people. Let's make the next year
better than this one. And try to remember that althought science and
computers are greate, our family and friends are super.
> >   ----- Original Message -----
> >   From: wang chuanming
> >   To: gmx-users at gromacs.org
> >   Sent: Tuesday, December 23, 2003 8:47 AM
> >   Subject: [gmx-users] PH value
> >
> >
> >   Dear all,
> >
> >   How I set PH value of the solvent on processing protein ?
> >
> >   Thanks in advance!
> >
> >   wang chuanming
> >
> >   2003-12-23
> >
> >
>
> --------------------------------------------------------------------------
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> >   ʹÓà MSN Messenger ÓëÁª»úµÄÅóÓѽøÐн»Á÷
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> -- 
> Antonio M. Baptista
> Instituto de Tecnologia Quimica e Biologica, Universidade Nova de Lisboa
> Av. da Republica, EAN, ITQB II, Piso 6, Apartado 127
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