Dear CHARMM users,
 Could you please help me to find answers for some of the following
 questions related to the TEMP routine in CORREL module of CHARMM?
  1) Should I use coordinate trajectories (IUNCRD files from Dynamics
 routine) or velocity files (IUNVEL files from Dynamics routine) to
 determine temperature with CORREL?
  2) If I should use velocity files, does the temperature determined by
 CORREL with coordinate trajectories have any meaning?
  3) If I should use velocity files, is there a procedure in CHARMM to
  convert coordinate trajectories into velocity files?
  4) Are there other ways to determine temperature / kinetic energy of a
 part of your system (not the whole system) from an already collected
 coordinate trajectory?
 Thank you,
 Mark Berjanskii
 Department of Biochemistry
 University of Missouri-Columbia
 117 Schweitzer Hall
 Columbia, MO 65211
 email: mberjans %-% at %-% coin.org