Hi,
We were running a sequence of 202 residues on the downloaded I-TASSER package (in serial mode), and upon reaching stage 3.2 (make restraints) I got this long list of errors of the form:
MUSTER warning: ARG ne CYS for res=3, convert ARG to CYS
The CYS was constant in all of these, with the first amino acid (ARG in this case) changing and the residue number looping erratically, ie. errors came up for residues 3-202, then 4-190, then 1-199 (missing 2 and 3), with no clear pattern. The list was so long that I didn't reach the bottom of it; looking at the end of the output file the last few lines of errors are of the form:
init.dat is wrong!!!!! 120 - 1uddA CYS ne ALA Env-PPAS
It then tells me that I have 22530 errors in my input files.
I'd add that there doesn't seem anything strange about the input sequence; indeed in the first step I-TASSER recognised it and printed it in full along with the sequence length, as normal. All threading programs also ran and finished without issues, with nothing going wrong until the restraints stage.
It could be relevant that this is the first time the software has been used on our server by any user other than myself - I've personally run several jobs in the last week without any issues.
Does anyone know what the cause of this problem could be?
Thanks,
Callum.