Features Unique to EGO

Besides implementing the most important features of X-PLOR, EGO also offers few features which are not available in X-PLOR. The most important one is that EGO runs concurrently on many parallel computers.

To efficiently compute long-range interactions EGO uses a distance class algorithm (see Section 6.2.1) and a Structure Adapted Multipole Method (see Section 6.2.3). This algorithm is superior to the simple cut-off scheme used by X-PLOR and describes long-range interactions more accurately.

Features unique to EGO include:

• Runs as a parallel program on many parallel computers (PVM, MPI, PARIX).
• Uses a distance-class method and a FMM to compute long-range, nonbonded interactions.
• The Flooding algorithm is used to speed up transitions between conformational substates in a protein.