[gmx-users] Shell MD

[yiran870804]

Dear sir： 
  
Thank you for reading my letter.  
I have a few problems  in Shell MD

 ....      . I have set the parameter of Shell MD as the Gromacs manual   in my *.mdp file. 

emtol:10.0
niter:20
fcstep:0

But the result is the same with the traditilnal MD.

Whether the Gromacs can not finish Shell MD?

I hope to obtain your help. 
Your prompt attention to this letter would be highly appreciated. 
 Thanks a lot. 
  
                                                                                                                             Liyan
    
 
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