VMD-L Mailing List

From: Thomas Christott (tchristott_at_proimmune.com)
Date: Mon Jul 29 2013 - 02:47:01 CDT

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