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Bug #205

make_ndx fails selecting on chain

Added by michiel empty about 11 years ago. Updated about 11 years ago.

Status:
Closed
Priority:
Normal
Assignee:
Erik Lindahl
Category:
analysis tools
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
Close

Description

version 3.3.1;
make_ndx -f mytpr.tpr
allows typing 'chain a' 'chain b' etc to select the chain of a protein

Version 4.0_beta1;
make_ndx with same tpr gives:

chain a

Found 0 atoms with chain identifier A
Group is empty

Associated revisions

Revision 025bb460 (diff)
Added by Erik Lindahl about 11 years ago

Fixed chain assignment when reading structure from tpr (bugzilla #205)

History

#1 Updated by David van der Spoel about 11 years ago

Can you upload an example tpr file?

#2 Updated by Erik Lindahl about 11 years ago

Fixed in the 4.0 branch.

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