Justin A. Lemkul wrote:

Please file a bugzilla, uploading all of the input files needed to reproduce the problem. It appears that you can cause LP2 to be assigned an LP type if it is the first line in atomtypes.atp, but the mass and charge are still nonsense. Certainly you can manually modify the topology to fix this problem, but it is definitely an important bug worth fixing.

Seeing that there has been no action on this, I made my own test case. If you want to follow the progress, please check out bug #618:

http://bugzilla.gromacs.org/show_bug.cgi?id=618

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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