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
Last activity: Jun 4, 2023, 06:03 PM