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

[Maik Goette]

Hi

Try the -ff option of pdb2gmx, if you're not able to get it working.
This less complicated.
pdb2gmx -f pdb.pdb -ff ffG43a1

Should work

Regards

Maik Goette, Dipl. Biol.
Max Planck Institute for Biophysical Chemistry
Theoretical & computational biophysics department
Am Fassberg 11
37077 Goettingen
Germany
Tel.  : ++49 551 201 2310
Fax   : ++49 551 201 2302
Email : mgoette[at]mpi-bpc.mpg.de
         mgoette2[at]gwdg.de
WWW   : http://www.mpibpc.gwdg.de/groups/grubmueller/


Mitra Kheirabadi wrote:
> 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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