[AMBER] RESTRAINT FILE

From: Sourav Purohit <sour000.gmail.com>
Date: Thu, 20 Mar 2014 04:46:32 +0530

Hi All,

I forgot to put comma at the end of the lines defining igr1 and igr2. Will
this lead to error ?

 &rst
      iat= -1, -1,
      igr1= 11,12,14,15,16,17,20,21,23,24,43,44,46,47,51,52,53,55,56
      igr2=
 389,390,392,393,394,395,398,399,401,402,421,422,424,425,429,430,431,433,434
      r1=-9.0 ,r2=6.9 ,r3=6.9 ,r4=20.0,
      rk2=5.0, rk3=5.0,
   &end


Thanks
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Received on Wed Mar 19 2014 - 16:30:02 PDT
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