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
--
========================================
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
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
