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insane script bug
- flaviyan
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9 years 7 months ago #4077
by flaviyan
insane script bug was created by flaviyan
Hi,
I just found that there is a small bug in the insane.py. when the number of atoms in the system get beyond 100,000 beads the output gro file is not readable by gromacs tools.
I just found that there is a small bug in the insane.py. when the number of atoms in the system get beyond 100,000 beads the output gro file is not readable by gromacs tools.
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- Clement
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9 years 7 months ago #4078
by Clement
Replied by Clement on topic insane script bug
Thanks! And do you know which column of data is unreadable? I bet on atom or residue index.
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- flaviyan
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9 years 7 months ago #4081
by flaviyan
Replied by flaviyan on topic insane script bug
Hi Clement,
The residue index column is causing the problem the atom index is fine. Since it is written as 5d in the script when there more than 100000 beads/residues the script truncates the number I.e if 234789 is to be written it prints 34789.
The residue index column is causing the problem the atom index is fine. Since it is written as 5d in the script when there more than 100000 beads/residues the script truncates the number I.e if 234789 is to be written it prints 34789.
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9 years 7 months ago - 9 years 7 months ago #4082
by flaviyan
Replied by flaviyan on topic insane script bug
I went back and checked both the atom index and the residue index are truncated
Last edit: 9 years 7 months ago by flaviyan.
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