Check you pdb file and see if the chain identifier A occurs at different
places in the file. Pdb2gmx expects a chain to be continous, and if it
isn't, it gets confused. If you have several chains, rename them
accordingly.
Cheers
/Per
Annie Albin wrote:
Dear all,
I faced a problem in the pdb2gmx step as i got this following error
message,
"Fatal error:
Chain identifier 'A' was used in two non-sequential blocks (residue
908, atom 7013)"
As I'm pretty new to this field. I'm finding it difficult to
troubleshoot. Any suggestions would be of great help.
Thank you,
Annie Albin.
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Per Larsson
PhD Student
Stockholm Bioinformatics Center
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+46 (0) 733 461467
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