normal backmapping error message

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3 months 6 days 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

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3 months 4 days 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

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3 months 3 days 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

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