VMD-L Mailing List

From: Ropon-Palacios G. (groponp_at_gmail.com)
Date: Thu Aug 26 2021 - 19:45:47 CDT

It is problem for that you vector no have same size , check atomselect rigth for get rigth x,y,z components.

 

Best,

 

Geo.

 

 

 

 

From: <owner-vmd-l_at_ks.uiuc.edu> on behalf of Amir Zeb <zebamir85_at_gmail.com>
Date: Thursday, August 26, 2021 at 2:33 AM
To: <vmd-l_at_ks.uiuc.edu>
Subject: vmd-l: VMD Error: vecsub: two vectors don't have the same size

 

Hello friends,

 

I want to compute the lipid tilt angles of a membrane simulation in vmd from its dcd trajectory, but I got the following error while executing the membplugin of vmd. Kindly let me know how to fix this error:

 

Error:

vecsub: two vectors don't have the same size

vecsub: two vectors don't have the same size

    while executing

"vecsub $B $A"

    (procedure "::membranetool_common::angle" line 7)

    invoked from within

"::membranetool_common::angle $atomcoord1 $atomcoord2 $normal"

    (procedure "::lipidtilt::tilt_lip" line 51)

    invoked from within

"::lipidtilt::tilt_lip [array get lipid_array] $nleaf $atomselection $FILE $FILE_plot $lipids $f"

    ("uplevel" body line 2)

    invoked from within

"uplevel $block"

    ("while" body line 4)

    invoked from within

"while $expression {

                set pwvar $f

                eval $wrapcmd

                uplevel $block

                animate delete all

                incr f $step

                mol addfile $dcd first $f last $f waitfor all

    ..."

    (procedure "::membranetool_common::for_frames" line 19)

    invoked from within

"::membranetool_common::for_frames $dcdfile $from $to $step f $wrapcmd {

    ::lipidtilt::tilt_lip [array get lipid_array] $nleaf $atomselection $FILE .."

    (procedure "::lipidtilt::tilt" line 91)

    invoked from within

"::lipidtilt::tilt -structure {C:/Users/Amir/Desktop/BMDRC data/Protocols/NAMD MD/MscL/Tanmay/server/charmgui/ionized.psf} -trajectory {C:/Users/Amir/D.."

    ("eval" body line 1)

    invoked from within

"eval ::lipidtilt::tilt $args "

    invoked from within

"if $errflag { error "Something went wrong.\n\nCommand: lipidtilt $args\n\nError: \n$errMsg" $savedInfo $savedCode }"

    (procedure "::lipidtilt::lipidtilt" line 18)

    invoked from within

"::lipidtilt::lipidtilt -structure {C:/Users/Amir/Desktop/BMDRC data/Protocols/NAMD MD/MscL/Tanmay/server/charmgui/ionized.psf} -trajectory {C:/Users/A.."

    ("eval" body line 1)

    invoked from within

"eval ::lipidtilt::lipidtilt $args"

    (procedure "lipidtilt" line 1)

    invoked from within

"lipidtilt -structure {C:/Users/Amir/Desktop/BMDRC data/Protocols/NAMD MD/MscL/Tanmay/server/charmgui/ionized.psf} -trajectory {C:/Users/Amir/Desktop/B.."

    ("eval" body line 1)

    invoked from within

"eval lipidtilt $command_line"

    (procedure "::lipidtiltgui::tilt" line 85)

    invoked from within

"::lipidtiltgui::tilt"

    invoked from within

".mttiltgui.run.button invoke"

    ("uplevel" body line 1)

    invoked from within

"uplevel #0 [list $w invoke]"

    (procedure "tk::ButtonUp" line 24)

    invoked from within

"tk::ButtonUp .mttiltgui.run.button"

    (command bound to event)

 

I shall be thankful for your cooperation.

 

Regards!

 

Amir