VMD-L Mailing List

From: Mayne, Christopher G (cmayne2_at_illinois.edu)
Date: Sat Nov 08 2014 - 10:11:49 CST

Zeinab,

Are you using the latest release of VMD 1.9.2?

Following the conversation to the threads you linked previously...
http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/21652.html

Regards,
Christopher Mayne

On Nov 8, 2014, at 7:40 AM, Zeinab Emami wrote:

Dear Christopher G Mayne,

I am getting the same error as Wenhao and Esra Bozkurt while running charge optimization:

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)

[http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/21646.html
http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/21195.html]

I read your suggestion to Wenhao [cd to a local directory in which you have read/write privileges, and rerun the optimization.] I was already in the directory which contains all files concerning ffTK on my own P.C.

Sincerely Yours,
Zeinab