Hello I am trying to attach hetatoms*(4 Mn,4 Mg,4 NAD, and 1027 water molecules)* to my model(an enzyme) using mod8v1,but somehow I always fail to get the output files(*B9999?????* *and the V9999???? files *).I do get the other output files*(D00000?????,.ini,.rsr,.sch).* *The error that I get in the log file is:* ** delete__442E> One or more atoms absent from MODEL: O:1976: C:1976: N:1977: CA:1977: delete__442E> One or more atoms absent from MODEL: O:1977: C:1977: N:1978: CA:1978:.................................................................................. ............................................................................................................ ..........................so on. ** *And the other error that it shows*:
csrrng__299E> Atom index is out of bounds: 30677 30676 csrrng__299E> Atom index is out of bounds: 30680 30676 nselat__596E> Atom index is out of range (iatm,natm): 30680 30676
SOMEONE PLEASE SUGGEST A SOLUTION FOR WHY THE MODEL IS NOT ACCEPTING THE HETATOMS?
Thanks
Natasha