VMD-L Mailing List

From: Win Liu (mdsimulate_at_gmail.com)
Date: Sat Mar 30 2013 - 21:00:47 CDT

Hello vmd developers,
I am using fftk plugin to develop a forcefield file for a small organic
molecule, but in Opt.charges step, one error occur:

#
error deleting "base-wat.pdb": permission denied
error deleting "base-wat.pdb": permission denied
    while executing
"file delete base-wat.pdb"
    (procedure "::ForceFieldToolKit::ChargeOpt::optimize" line 125)
    invoked from within
"::ForceFieldToolKit::ChargeOpt::optimize"
    (procedure "::ForceFieldToolKit::gui::coptRunOpt" line 55)
    invoked from within
"::ForceFieldToolKit::gui::coptRunOpt "
    invoked from within
".fftk_gui.hlf.nb.chargeopt.runOpt invoke "
    invoked from within
".fftk_gui.hlf.nb.chargeopt.runOpt instate {pressed !disabled} {
.fftk_gui.hlf.nb.chargeopt.runOpt state !pressed;
.fftk_gui.hlf.nb.chargeopt.runOpt in..."
    (command bound to event)
#

And I found that this issue is exactly the same as *Esra Bozkurt pointed
before, JC pointed out that it's because of the default directory and
environment variable in VMD, I think so too, then I move VMD, NAMD and
every file else to different directory, but this issue occured still. So
can anyone suggest me how to fix this permission issue? By the way, I used
windows NAMD. *
*
*
*Thanks in advance! *
*
*
*Wenhao *