Ken Rotondi wrote:
> I've had this in AMBER for some time. I need to use a > UAFF. ok > > > > There is no H211 in either the .hdb or .pdb file. My first guess would be that even though you say it's not in there, it actually is. Perhaps it's in lower case and you used a case sensitive search? Try grep -i h211 *.hdb *.pdb and see if it turns up. -ignh might also be helpful (doubt it though). If all else fails backtrace through the code from the location of the error message until you find where that atom is coming from. Regards, David Mathog [EMAIL PROTECTED] Manager, Sequence Analysis Facility, Biology Division, Caltech _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
