How to use geometry optimization outputs generated by NWChem, Q-Chem, Turbomole or Jaguar in R.E.D. Server?
Before anything else, it is recommended to check the latest updates of R.E.D. Server available at the R.E.D. Server news. Indeed, this feature might have been released by the q4md-forcefieldtools team at the time a R.E.D. Server user needs it. If not available, optimized cartesian coordinates using NWChem, Q-Chem, Turbomole, Jaguar or ADF (among many others) have to be manually re-formatted into a format recognized by the R.E.D. program, i. e. a Gaussian or a GAMESS/Firefly like format. Read the R.E.D.-II FAQ about how to perform this task, and execute R.E.D. Server in “Mode 2”.
