Dear all,
There was an unknow error in the production phase, when i performed a standard dynamics cascade on a protein complex with explicit periodic boundary. All the parameters in energy minimization, solvation, and standard dynamics cascade were set as default. I have double checked the complex and no obvious mistake was found. However, when i treated the complex with implicit boundary, everything is OK. I just want to know what shall I do next and the possible reason for this error. Thanks.
Yuchen
