Sample Application Input Files

All the input files for applications in SEAGrid are available in https://iu.box.com/s/9ztdby709kso8siachz16svn2y511nn7

Folder by the application name exists with input files.

For your ease of use, few are existing here.

1. PEARC18 Tutorial Input Files:

2. Gaussian Application Input Files

   1. Input File 1:

   2. Input File 2: 

   3. Input File 3: 

   4. Input File 4: 

   5. Input File 5: 

   6. Input File 6: 

   7. Input File 7: 

   8. Input File 8:

   9. Input File 9: Gaussian.com

   10. Input File 10 : caco3wat2.com

   11. Input File 11: si3s3h3.com

   12. Input File 12: ptc2h3.com

   13. Input File 13: pxylene.com

   14. Input File 14: ch5n2o.com

3. Lammps Application Input Files

   1. Friction Simulation File: 
      
      

4. Amber_Sander Application Input File

   1. Input Files 1:

      1. Heat Restart File: 

      2. Production Control File: 

      3. Parameter Topology File: 
         
         

5. Gamess Input Files

   1. Input File 1: 

   2. Input File 2: 
      
      

6. NWChem Input Files

   1. Input File 1:
      
      

7. PSI4

   1. Input File 1: 
      
      

8. Molcas

   1. Input File1:
      
      

9. QChem

   1. Input File 1:
      
      

10. Quantum Espresso

    1. Input File 1:

    2. 
       
       

11. NAMD

    1. Input Files 1:

       1. MD_Instructions_Input: 

       2. Coordinates-PDB-file: 

       3. Protein-Structure-File: 

       4. ff-parameter-file:   
          
          

12. Gromacs

    1. Input Files 1: