VMD-L Mailing List

From: Win Liu (mdsimulate_at_gmail.com)
Date: Sun Mar 31 2013 - 11:37:19 CDT

Hi Chris,
Thanks for your suggestion. But I tried cd to a permission allowed
directory, but this issue occurred again. And I tried file delete
base-wat.pdb command in that directory and this command worked. So I really
don't how this error come out and how to fix it.

Wenhao

2013/3/30 Christopher Mayne <mayne_at_ks.uiuc.edu>

> Based on the permissions error, I would suggest opening the tkcon, cd to a
> local directory in which you have read/write privileges, and rerun the
> optimization.
>
> Christopher Mayne
>
>
> On Mar 30, 2013, at 9:00 PM, Win Liu wrote:
>
> 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 *
>
>
>