VMD-L Mailing List

From: Zeinab Emami (zemami_at_ku.edu.tr)
Date: Sat Nov 08 2014 - 07:40:24 CST

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 deniederror 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