File: output.save

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cpptraj 5.1.0%2Bdfsg-5
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file content (18 lines) | stat: -rw-r--r-- 730 bytes parent folder | download | duplicates (2)
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 &rst iat=5,198,0
   r1=4.000000, r2=5.000000, r3=5.000000, r4=6.000000, rk2=2.000000, rk3=2.000000,
   nstep1=0, nstep2=0,
 &end
 &rst iat=-1,-1,0
   r1=20.253801, r2=20.753801, r3=20.753801, r4=21.253801, rk2=1.000000, rk3=1.000000,
   IGR1(1)=1,IGR1(2)=5,IGR1(3)=7,IGR1(4)=10,IGR1(5)=12,IGR1(6)=13,
   IGR2(1)=196,IGR2(2)=198,IGR2(3)=200,IGR2(4)=203,IGR2(5)=206,IGR2(6)=209,IGR2(7)=212,IGR2(8)=216,IGR2(9)=217,
   nstep1=0, nstep2=0,
 &end
 &rst iat=5,78,198,0
   r1=80.000000, r2=85.000000, r3=90.000000, r4=95.000000, rk2=10.000000, rk3=10.000000,
   nstep1=0, nstep2=0,
 &end
 &rst iat=54,74,76,78,0
   r1=175.000000, r2=180.000000, r3=180.000000, r4=185.000000, rk2=100.000000, rk3=100.000000,
   nstep1=0, nstep2=0,
 &end