Dear Anshul,
Can you post the pdb file please, would make things much easier to diagnose.
> with more than 1 substituted amonoacids, leap gives the error:
> -- residue 597: duplicate [ C17] atoms (total 2)
> -- residue 597: duplicate [ C18] atoms (total 2)
What are the residue numbers in the pdb file of the two substituted amino
acids? I bet they both have residue number 597. Change one of them to
another residue number. You need to insure that every residue in your pdb
has a unique residue number.
Try this and see how you get on.
All the best
Ross
/\
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|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
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Received on Sat Jul 24 2004 - 16:53:00 PDT
