VMD-L Mailing List

From: MARIA JOSE ALIAGA GOSALVEZ (mj.aliaga.gosalvez_at_gmail.com)
Date: Tue Feb 14 2017 - 14:02:28 CST

Dear colleagues,

when I try to open a gaussian log file with the QMtool I get this error:

Error: vecscale: parameters must have data

and in the details:

vecscale: parameters must have data
vecscale: parameters must have data
    while executing
"vecscale [vecnorm [vecadd $v21 $v23]] $bond"
    (procedure "get_cartesian_from_zmat" line 16)
    invoked from within
"get_cartesian_from_zmat $cart $atomlist [list $bond $angle $dihed]"
    (procedure "read_zmatrix" line 154)
    invoked from within
"read_zmatrix $fid "Recover connectivity data from disk.""
    (procedure "read_gaussian_log" line 225)
    invoked from within
"read_gaussian_log $file $molid"
    (procedure "load_gaussian_log" line 17)
    invoked from within
"load_gaussian_log $file"
    (procedure "load_file" line 10)
    invoked from within
"load_file $file $type "
    (procedure "::QMtool::opendialog" line 79)
    invoked from within
"::QMtool::opendialog log"
    (menu invoke)

Can anyone please help me?

Thanks in advance 

-- 
************************************************
Dr. María José Aliaga Gosálvez
Departamento de Química Física
Universidad de Valencia
c/ Dr. Moliner 50
46100 Burjassot - (Valencia) - Spain
__________________________________
Phone:  + 34 96 354 31 65
Fax:      + 34 96 354 45 64
Email:   maria.jose.aliaga_at_uv.es
            mj.aliaga.gosalvez_at_gmail.com
*************************************************