File: around.dat.save

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cpptraj 5.1.0%2Bdfsg-4
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file content (19 lines) | stat: -rw-r--r-- 1,231 bytes parent folder | download
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1	 Warning: Unusual bond length 5:SER_1@CA to 12:SER_1@C (2.59)
1	 Warning: Unusual bond length 12:SER_1@C to 13:SER_1@O (2.33)
2	 Warning: Atoms 8:SER_1@HB2 and 5072:WAT_1631@O are close (0.72)
2	 Warning: Unusual bond length 5:SER_1@CA to 12:SER_1@C (2.60)
2	 Warning: Unusual bond length 12:SER_1@C to 13:SER_1@O (2.34)
3	 Warning: Unusual bond length 5:SER_1@CA to 12:SER_1@C (2.60)
3	 Warning: Unusual bond length 12:SER_1@C to 13:SER_1@O (2.26)
4	 Warning: Atoms 8:SER_1@HB2 and 5072:WAT_1631@O are close (0.68)
4	 Warning: Unusual bond length 5:SER_1@CA to 12:SER_1@C (2.68)
5	 Warning: Atoms 6:SER_1@HA and 4896:WAT_1572@H1 are close (0.72)
5	 Warning: Atoms 8:SER_1@HB2 and 5072:WAT_1631@O are close (0.75)
5	 Warning: Unusual bond length 5:SER_1@CA to 12:SER_1@C (2.57)
5	 Warning: Unusual bond length 7:SER_1@CB to 9:SER_1@HB3 (2.10)
6	 Warning: Unusual bond length 5:SER_1@CA to 12:SER_1@C (2.53)
7	 Warning: Unusual bond length 5:SER_1@CA to 12:SER_1@C (2.54)
7	 Warning: Unusual bond length 7:SER_1@CB to 9:SER_1@HB3 (2.09)
8	 Warning: Unusual bond length 12:SER_1@C to 13:SER_1@O (2.39)
9	 Warning: Unusual bond length 12:SER_1@C to 13:SER_1@O (2.27)
10	 Warning: Unusual bond length 12:SER_1@C to 13:SER_1@O (2.24)