CCL: geetin error with configuration file



 Sent to CCL by: "ashok kumar dhaka"
 [ashok.ashokaraj.kumar8.:.gmail.com]
 Hello
  you are heating the protein too fast!! Did you add the tcl libraries to
  your namd installation?
  What does your config file look like? Then I can tell you if there is
  something wrong with your config.
  I will bet that you have an unkown
  command error in your log file just above the errors you list below.
  Brian
  On Fri, 14 Nov 2003, xiongying99 wrote:
  > Dear sir,
  >  I have another question. When I run a minimization, the program stopped
  > abnormally:
  > REINITIALIZING VELOCITIES AT STEP 100 TO 310 KELVIN.
  > TCL: Running for 100 steps
  > ERROR: Constraint failure in RATTLE algorithm for atom 1551!
  > ERROR: Constraint failure; simulation has become unstable.
  > ERROR: Constraint failure in RATTLE algorithm for atom 1193!
  > ERROR: Constraint failure; simulation has become unstable.
  > ERROR: Constraint failure in RATTLE algorithm for atom 2102!
  > ERROR: Constraint failure; simulation has become unstable.
  > ERROR: Constraint failure in RATTLE algorithm for atom 3254!
  > ERROR: Constraint failure; simulation has become unstable.
  > ERROR: Constraint failure in RATTLE algorithm for atom 3120!
  > ERROR: Constraint failure; simulation has become unstable.
  > ERROR: Constraint failure in RATTLE algorithm for atom 3575!
  > ERROR: Constraint failure; simulation has become unstable.
  > ERROR: Constraint failure in RATTLE algorithm for atom 4624!
  > ERROR: Constraint failure; simulation has become unstable.
  > ERROR: Constraint failure in RATTLE algorithm for atom 3069!
  > ERROR: Constraint failure; simulation has become unstable.
  > ERROR: Exiting prematurely.
  > ==========================================
  > WallClock: 25.321195  CPUTime: 25.270000  Memory: 16074 kB
  > Program finished.
  >
  >