[gmx-users] PH value

Nuno R. L. Ferreira nunolf at ci.uc.pt
Tue Dec 23 16:18:01 CET 2003

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.


P.S.1. Pease check the e-mail list. Claudio Soares has posted some very good answers/sugestions about the pH issue.

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


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