Thanks for the info. pb.
On Mon, Dec 14, 2009 at 11:33 PM, Mark Abraham <[email protected]>wrote: > Pradip Biswas wrote: > >> Hi, >> >> The atomic numbers of the atom types opls_179 (OS) and opls_180 (OS) are >> typed in as 7 in ffoplsaanb.itp instead of 8. Accordingly, while doing QMMM, >> these oxygen atoms are being recognized as Nitrogen atoms. >> > > DvdS fixed this in the git source earlier this week. > > Mark > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Pradip K Biswas, PhD Acting Chair, Department of Physics, Computational Bioscience and Bioengineering Group Tougaloo College, MS 39174 Ph: 601-977-7788 Fax: 601-977-7898
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
