We'retrying to dock to heme-containing proteins together. The hemes are close to the docking interface, so we don't feel we should dock the proteins only. We've used molfile_to_params.py to create params files. When we try to dock, we get fold errors, as did a previous poster about 6-8 months ago. The recommendation was to try the flag -partners AB CD. When we do that, we get an error that docking:partners has multiple values & the job dies. When we try using two separate partners statements, we get a warning that the partners flag is being reset by a 2nd call, which isn't what we want either. Is there a way around this, or are we just stuck?
Maybe it takes an underscore? AB_CD? I'll try to check when I have the code handy tomorrow...
Are you trying it on commandline or in an options file?
Using an options file. I'll just try it & see.
Yes, the underscore seems to have done the trick. I've moved on to another problem now:-) Thanks!