I was wondering if it is possible to specify multiple resfiles in a single fixbb job submission. For instance, if I have 10 resfiles and 10 PDBs I would like to have 100 output files, 10 for each resfile. If not is there a simple way to modify the code to do this? I tried writing a wrapper program for the main function in fixbb.cc that cycles resfiles in and out of the flags file and calls the main function passing that in as argv, but the second call to the main function (second resfile) crashes with an error message saying:
ERROR: fresh_instance has been called on a Mover which has not overridden the base class implementation. Probably you tried to pass a Mover to the job distributor which does not have fresh_instance implemented. Implement the function and try again. (Mover.cc line 161).
I'm not really sure how to fix this error. Are there any suggestions on how to best tackle this problem? We're testing a design method that requires a lot of resfiles and we have access to a Bluegene cluster that could be used to easily farm this job out, but starting and stopping takes too long on a normal cluster and you have to wait in a queue for each Bluegene submission. Thanks in advance for your assistance.