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backmapping error message
- aishwarya
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5 years 4 months ago #7975
by aishwarya
backmapping error message was created by aishwarya
Hi,
I am trying to backmapp a peptide containing 14 beads,
Unfortunately I get an error which says the following.
Problem determining mapping coordinates for atom CZ of residue ASN.
atomlist:
want: CZ
have:
Bailing out...
Could you please suggest how to resolve this problem?
Aishwarya
I am trying to backmapp a peptide containing 14 beads,
Unfortunately I get an error which says the following.
Problem determining mapping coordinates for atom CZ of residue ASN.
atomlist:
want: CZ
have:
Bailing out...
Could you please suggest how to resolve this problem?
Aishwarya
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- tsjerk
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5 years 4 months ago #7976
by tsjerk
Replied by tsjerk on topic backmapping error message
Hi Aishwarya,
This happens if there's a mismatch between the input structure and the target topology. Can you assert that that's not the case? By the way, the version from Github gives more error information.
Tsjerk
This happens if there's a mismatch between the input structure and the target topology. Can you assert that that's not the case? By the way, the version from Github gives more error information.
Tsjerk
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- aishwarya
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5 years 4 months ago #7977
by aishwarya
Replied by aishwarya on topic backmapping error message
Hi Tsjerk,
Thanks you so much
For me it worked. There was a mismatch of input structure and the target topology.
ACE residues was not defined the mapping folder of the gromos which was part of my peptide. On removing it , the backmapping was possible.
AIshwarya
Thanks you so much
For me it worked. There was a mismatch of input structure and the target topology.
ACE residues was not defined the mapping folder of the gromos which was part of my peptide. On removing it , the backmapping was possible.
AIshwarya
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