Department of Chemistry and Chemical Biology

Carnal

	I am using carnal to create output in the form of stream with the 10ps
	intervals for the last 300ps of my MD run. I am using
	OUTPUT
	     COORD s2 s1 SELECT (1, 20, 40, 60, 80 .... ) ATOM 504;
	
	The line for the select is getting to big ( I have to go to up to 600
	with the 20 intervals. In carnal lines may not exceed 80 characters. So,
	I am out of space.... How can it be fixed ????


Simple answer: you can continue on the next line:

   COORD s2 s1 SELECT (1, 20, 40, 60, 
			80 .... ) ATOM 504;

Better answer:

   COORD s2 s1 ( MOD 20 ) ATOM 504;

From the manual:

              MOD h
                Select  every  h'th set from the stream.  Note that
                this option selects files for output only, and does
                not  affect  measurements on the stream, as opposed
                to the STREAM WIN option,  which  pre-selects  sets
                for all the other commands.

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Last modified: Tuesday, April 01, 2003