[gmx-users] How can I add ffG43a1p force field to gromacs software?

[Mitra Kheirabadi]

Dear Dr.Periole
   
  I add ffG43a1p to FF.dat/ top and changed 11 to 12 on this file but sorry again I did not appear. please help me.
   
  Respectfully

Mitra Kheirabadi <mitrakheirabadi at yahoo.com> wrote:
    Dear Periola
   
  I appreciate your kindly help.
   
  Respectfully

Xavier Periole <X.Periole at rug.nl> wrote:
  On Tue, 8 Jan 2008 06:35:28 -0800 (PST)
Mitra Kheirabadi wrote:
> Dear Dr. Smith
> 
> I want to run a virus phosphorylated protein by gromacs. Furtunatly, you 
>construct related force field by ffG43A1p name. I copied this force field to 
>top. file gromacs but when I constructed pdbgmx, there is no any ffG43a1p to 
>select. Could you help me?
> I be so grateful to receive any information about it.

you must modify the file top/FF.dat and include the new force field.

XAvier

-----------------------------------------------------
XAvier Periole - PhD

NMR & Molecular Dynamics Group
University of Groningen
The Netherlands
http://md.chem.rug.nl/~periole
-----------------------------------------------------
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