[modeller_usage] Atom Index is out of bounds:

Dear Modeller users,

I am trying to model the structure of a 300-residue protein containing a phospho-threonine (PTH). After writing the topology of PTH in top_heavy.lib and specifying PTH in restype.lib under the modlib subdirectory, I get this error upon running MODELLER:

csrrng__299E> Atom index is out of bounds: 2392 2391 recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1

As you can see MODELLER does not complain about PTH but some general error. Has anyone encountered something like this before? How can this be fixed? Interestingly, when I substitute PTH with THR, MODELLER generates no such error and models the structure nicely.

Any help will be greatly appreciated.

Many thanks, Amjad

**************************************** AMJAD FAROOQ PhD Assistant Professor

Dept of Biochemistry & Molecular Biology Miller School of Medicine University of Miami Gautier Building, Rm 214 1011 NW 15th Street Miami, FL 33136

tel 305-243-2429 fax 305-243-3955 amjad@farooqlab.ws http://farooqlab.ws ****************************************