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

[Mitra Kheirabadi]

Dear Goette
   
  Thanks a lot for your helpful suggestion.
   
  Cheers

Maik Goette <mgoette at mpi-bpc.mpg.de> wrote:
  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 /* wrote:
> 
> Dear Periola
> 
> I appreciate your kindly help.
> 
> Respectfully
> 
> */Xavier Periole /* 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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