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Quick variable substitution?
#37150 09/10/18 07:26 PM
Joined: Jun 2016
Posts: 24
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I'm using coor axis to define the center of geometry for a selection of coordinates and then I'm using quick (on one atom) to measure the distance between the center of geometry established in the coor command and the selected atom.
Example:

Code:
coor axis sele points end
quick sele hit end

I get an output of:

QUICKA: The distance from axis center is: 7.75612
QUICKA: The distance from axis vector is: 7.04263
QUICKA: Projected distance along axis is: 3.24944

My question is how do I save the 'distance from axis center' as a variable? Displaying the list of command substitution parameter values before and after running quick was not successful. Any suggestions?

Re: Quick variable substitution?
EArtikis #37152 09/11/18 05:58 AM
Joined: Sep 2003
Posts: 4,771
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Joined: Sep 2003
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Edit the file ~charmm/source/misc/quicka.src
After the statement
call set_param('ZVAL',ZIAT)
add
call set_param('DIST',RA)

install charmm again, using the same command as when first installing charmm.


Lennart Nilsson
Karolinska Institutet
Stockholm, Sweden

Moderated by  John Legato, lennart 

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