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Bug #1796

Manual typo in topology chart regarding dihedral types 10 and 11

Added by Michael Shirts about 2 years ago. Updated about 2 years ago.

Status:
Closed
Priority:
Normal
Assignee:
-
Category:
documentation
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

In Table 5.5, it lists:

Restricted dihedral as being type 11
Combined bending-torsion potential as Type 10

But it looks like it's the reverse when actually running the code, i.e. using dihedral type 10 gives:

Incorrect number of parameters - found 5, expected 2 or 4 for Restricted Dih..

Restricted dihedral = Type 10
Combined bending-torsion = Type 11

This would also be consistent with the ordering in the table as well.

This error is in:
ftp://ftp.gromacs.org/pub/manual/manual-5.1-beta1.pdf

And earlier versions as well (at least back to 5.0.4)

Associated revisions

Revision cf61f98e (diff)
Added by Mark Abraham about 2 years ago

Fix docs of ftypes of dihedrals

The ftype indices for restricted dihedrals and combined
bending-torsion interactions were documented the wrong way around.

Fixes #1796

Change-Id: I5d3c52cc0f326c9e379efe50d0841940d51e4894

History

#1 Updated by Gerrit Code Review Bot about 2 years ago

Gerrit received a related patchset '2' for Issue #1796.
Uploader: Mark Abraham ()
Change-Id: I5d3c52cc0f326c9e379efe50d0841940d51e4894
Gerrit URL: https://gerrit.gromacs.org/4961

#2 Updated by Mark Abraham about 2 years ago

  • Status changed from New to Fix uploaded

#3 Updated by Mark Abraham about 2 years ago

  • Status changed from Fix uploaded to Resolved
  • % Done changed from 0 to 100

#4 Updated by Mark Abraham about 2 years ago

  • Status changed from Resolved to Closed
  • Target version changed from 5.1 to 5.0.7

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