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Xplor dynamics analysis

Lluis Ribas lluis at aaRS
Tue Mar 28 18:25:39 EST 1995

     Hi there,

      Those of you who use XPLOR for molecular dynamics calculations may be 
    able to help me with a problem.
      After having generated HUGE trajectory files I want to be able to extract
    the energy values of each run from the log file. How to do that when the log 
    file is about 100 Mbytes big ?.
     My only answer is to either use GREP or AWK to edit out the energy values
    into a more manageable file, perhaps even a value column that can be directly
     Does any of you out there have that kind of script ?. Can anyone suggest another
    option ?. Any help will be appreciated if it saves me the headache of learning
    GREP or AWK.

                        Thanks !,  Lluis

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