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fort.22
19 lines (19 loc) · 1.12 KB
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fort.22
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5 7 -36
STEP TIME TOTE TOTK ENER
EP-K TEMP BOND ANGL DIHE
IMPR VDW ELEC HBON HARM
DMC RGY
1 0.0010 270.4123 87.6143 182.7980
95.1838 323.0000 12.3890 22.3500 12.8965
1.8146 -18.2849 10.0677 0.0000 0.0000
0.0000 0.0000
1.0000 0.0000 1.0000 0.0000 0.0000
1.0000 -0.0296 0.0103 0.0096 0.0098
-0.0278 0.0095 0.0091 0.0093 -0.0222
2 0.0020 286.4204 87.6143 198.8062
111.1919 323.0000 23.0230 26.7272 12.9202
1.9505 -18.3560 9.9500 0.0000 0.0000
0.0000 0.0000
1.0000 0.0000 1.0000 0.0000 0.0000
1.0000 -0.0297 0.0103 0.0096 0.0098
-0.0278 0.0095 0.0091 0.0093 -0.0222