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Martinize error when using pdb with negative residue numbers
- andreashlarsen
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4 years 4 months ago #8325
by andreashlarsen
Martinize error when using pdb with negative residue numbers was created by andreashlarsen
Hi,
I get an error when coarse-graining a protein with martinize (most recent version from the martini website). The pdb file contains a negative residue number, -1, for the first residue. I solved the problem by adding a constant to all residue numbers, to avoid negative numbers. However, I thought it would be worth reporting here. I haven't tested whether the same is the case for martinize2 (vermouth-martinize)...
I get an error when coarse-graining a protein with martinize (most recent version from the martini website). The pdb file contains a negative residue number, -1, for the first residue. I solved the problem by adding a constant to all residue numbers, to avoid negative numbers. However, I thought it would be worth reporting here. I haven't tested whether the same is the case for martinize2 (vermouth-martinize)...
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- peterkroon
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4 years 4 months ago #8333
by peterkroon
Replied by peterkroon on topic Martinize error when using pdb with negative residue numbers
Thanks for the report. I have run such PDBs with martinize2 without problems, so at least in the future the problem will be gone.
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