Hi ALL,
My protein system contains Hg ions. As a result GROMACS4.0.5 is throwing the
error
"Fatal error:
Residue 'HG' not found in residue topology database"
How to solve tis issue? Can I add required parameters in the ions.itp file? If
so can someone kindly provide the required parameters for Hg2+ ions.
Thanks a lot in advance.
Regards,
Anirban GhoshGrade Based Engineer
Bioinformatics Team
Centre for Development of Advanced Computing (C-DAC)
Pune, India
Looking for local information? Find it on Yahoo! Local
http://in.local.yahoo.com/
_______________________________________________
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/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/mailing_lists/users.php