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how to write a commant for output of a particular group?

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> Reading file prod1.tpr, VERSION 2019.6 (single precision) > Reading file prod1.tpr, VERSION 2019.6 (single precision) > Select a group of reference atoms and a group of molecules to be ordered: > Group 0 ( System) has 56000 elements > Group 1 ( Other) has 56000 elements > Group 2 ( DPPC) has 26000 elements > Group 3 ( TIP3) has 30000 elements > Group 4 ( Up_Choline) has 2000 elements > Group 5 ( Low_Choline) has 2000 elements > Group 6 ( Up_PO4) has 500 elements > Group 7 ( Low_PO4) has 500 elements > Group 8 ( Up_Glycerol) has 1100 elements > Group 9 ( Low_Glycerol) has 1100 elements > Select a group: Is this possible to give the input for the particular group inside the shell script So no need to select a number for a particular group in the terminal ? If yes then how will be the format to select a particular group in shell script?
Asked by PRAMOD KUMAR (1 rep)
Jun 4, 2023, 05:07 PM
Last activity: Jun 4, 2023, 06:03 PM