AMBER Archive (2004)

Subject: RE: AMBER: atoms not in residue templates

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Sat Jul 24 2004 - 10:05:36 CDT

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

/\
\/
|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk/ | PGP Key available on request |

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu