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#37150 - 09/10/18 03:26 PM Quick variable substitution?
EArtikis Offline
Forum Member

Registered: 06/01/16
Posts: 23
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?

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#37152 - 09/11/18 01:58 AM Re: Quick variable substitution? [Re: EArtikis]
lennart Online   content

Forum Member

Registered: 09/25/03
Posts: 4743
Loc: ~ 59N, 15E
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

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