[Bug 476056] [NEW] Gromacs package includes prelimanary CHARMM FF

[Roland Schulz]

Public bug reported:

Binary package hint: gromacs-data

The gromacs-data package includes a FF.dat file with the CHARMM FF. The
CHARMM FF parameters are experimentally and got accidentally added to
the gromacs 4.0.5 source tarball. But the FF.dat does not include a
reference to the CHARMM FF and thus the CHARMM FF parameters are not
used.

Please either:
- remove the last line from FF.dat (basically undo the change relative to the upstream source package) and descrease the first line by 1
- or mark the CHARMM force as a development version by changing the line to: 
ffcharmm27 [DEVELOPMENT] CHARMM 27 all-atom force field

ProblemType: Bug
Architecture: amd64
Date: Thu Nov  5 20:31:57 2009
DistroRelease: Ubuntu 9.10
Package: gromacs 4.0.5-4
ProcEnviron:
 LANGUAGE=
 PATH=(custom, user)
 LANG=en_US.UTF-8
 SHELL=/bin/bash
ProcVersionSignature: Ubuntu 2.6.31-14.48-generic
SourcePackage: gromacs
Uname: Linux 2.6.31-14-generic x86_64

** Affects: gromacs (Ubuntu)
     Importance: Undecided
         Status: New


** Tags: amd64 apport-bug

-- 
Gromacs package includes prelimanary CHARMM FF
https://bugs.launchpad.net/bugs/476056
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