Hi again,

I have changed the order of the entries in the radii.lib and radii14.lib files, so that the newly defined atoms are at the beginning. Now I am getting a new error message:

read_to_240E> Include residue type in RESTYP_LIB: AAA recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1

I am a little surprised that the order of entries in the radii libraries matters (the comments there state otherwise). But in any event I would appreciate your help.

__________________________________ Do you Yahoo!? Yahoo! Mail - You care about security. So do we. http://promotions.yahoo.com/new_mail