[gmx-users] Protonate on N- and C- termini

Xavier Periole x.periole at rug.nl
Thu Mar 10 14:37:41 CET 2005

Binbin Liu wrote:

>OK, let me make it clear. I want to neutralise the N- C- termini. How can I do 
>it using GROMACS?
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>gmx-users at gromacs.org
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You got to include the option -ter when you run pdb2gmx and you'll
have the choice between different n/c ter


   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   Nijenborgh 4
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at rug.nl
   web-page: http://md.chem.rug.nl/~periole

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