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|
REST 42 1
4 !NTITLE followed by title
* 2D-REX EXAMPLE ON ALA3
* DIMENSION 1 (FREQ 200) IS TEMPERATURE.
* DIMENSION 2 (FREQ 1000) IS HAMILTONIAN W/ REDUCED BACKBONE TORSION
* DATE: 5/ 2/17 15:50:34 CREATED BY USER: droe
!NATOM,NPRIV,NSTEP,NSAVC,NSAVV,JHSTRT,NDEGF,SEED,NSAVL
42 100 100 1000 10 0 98 0.100000000000000D+01 0 1 4 1224139974 1915062405 1316294427 569044769
!ENERGIES and STATISTICS
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT
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!XOLD, YOLD, ZOLD
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!VX, VY, VZ
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0.370136312015574D+00 0.729788870177462D+00 0.475035999920238D+00
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!X, Y, Z
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0.692773716836648D-02 0.128674717182254D-01 0.967194079817776D-02
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