SIMONA Output files

Every SIMONA MC simulation will generate many files. Here is a brief description of the files you may obtain.

• runtest.out (energy summary by steps, Please, check the last line for : SIMONA run finished.

• best.pdb (lowest energy structure)

• runtest_out.xml (output for acceptance ratio)

• runtest_snap.pdb (last frame structure)

• runtest_snap.xml (copy of original xml input)

• trajectory.pdb (trajectory, it can be checked with VMD, pymol or any program that reads PDB trajectories)