VMD-L Mailing List
From: Thomas Christott (tchristott_at_proimmune.com)
Date: Tue Jul 23 2013 - 05:54:51 CDT
- Next message: R. Charbel MAROUN: "catdcd -first"
- Previous message: Francesco Pietra: "Fwd: FFTK scan torsions aromatics"
- Next in thread: Thomas Christott: "RE: Mutator plugin error"
- Maybe reply: Thomas Christott: "RE: Mutator plugin error"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Dear All,
I'm new to VMD and currently going through tutorials.
I encountered an error whilst trying to mutate a residue in a protein in
order to recreate the Free Energy Pertubation tutorial with a more
complex protein.
Error message is as follows:
Error: error deleting "alch.fep.pdb": permission denied.
error deleting "alch.fep.pdb": permission denied
error deleting "alch.fep.pdb": permission denied
while executing
"file delete -force $fepprefix.fep.pdb"
(procedure "mutator_core" line 318)
invoked from within
"mutator_core -psf C:/Filepath/prot.psf -pdb C:/Filepath/prot.pdb -o
MUTATED -ressegname H -resid 59 -mut..."
("eval" body line 1)
invoked from within
"eval mutator_core $args "
invoked from within
"if $errflag { error $errMsg $savedInfo $savedCode }"
(procedure "mutator" line 8)
invoked from within
"mutator -psf $psffile -pdb $pdbfile -o $outprefix -ressegname H -resid
59 -mut TYR -FEP $fepprefix"
("eval" body line 1)
invoked from within
"eval mutator $command_line"
(procedure "::Mutator::run_mutator" line 55)
invoked from within
"::Mutator::run_mutator"
invoked from within
".mutatorgui.mutator invoke"
("uplevel" body line 1)
invoked from within
"uplevel #0 [list $w invoke]"
(procedure "tk::ButtonUp" line 24)
invoked from within
"tk::ButtonUp .mutatorgui.mutator"
(command bound to event)
Any help would be greatly appreciated.
Kind regards,
Thomas
- Next message: R. Charbel MAROUN: "catdcd -first"
- Previous message: Francesco Pietra: "Fwd: FFTK scan torsions aromatics"
- Next in thread: Thomas Christott: "RE: Mutator plugin error"
- Maybe reply: Thomas Christott: "RE: Mutator plugin error"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]