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