[gmx-users] PH value

[baptista at itqb.unl.pt]

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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-- 
Antonio M. Baptista
Instituto de Tecnologia Quimica e Biologica, Universidade Nova de Lisboa
Av. da Republica, EAN, ITQB II, Piso 6, Apartado 127
2781-901 Oeiras, Portugal
phone: +351-214469619(NEW!)   email: baptista at itqb.unl.pt
fax:   +351-214411277         WWW:   http://www.itqb.unl.pt/~baptista
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