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

Mitra Kheirabadi mitrakheirabadi at yahoo.com
Tue Jan 8 16:30:27 CET 2008


Dear  Wassenaar
  
 
  I appreciate your kindly help.
   
  Respectffuly
Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:
  Hi Mitra,

You can add it in the file FF.dat in the $GMXDIR/share/gromacs/top/ directory.

Cheers,

Tsjerk

  On Jan 8, 2008 3:35 PM, Mitra Kheirabadi < mitrakheirabadi at yahoo.com> 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.
   
  Respectfully
    
  
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8 
3584 CH Utrecht
The Netherlands
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