Re: vmd-l: ffTK problem: OPT.Charges

From: Mayne, Christopher G (
Date: Fri Nov 07 2014 - 10:51:57 CST


This is a VMD issue; there is no need to cross-post to NAMD-L.

I assume that you are referring to setting the "Output LOG" file under the "Input" subsection. The "Save As" button here allows you to set the path for this file. The LOG file itself is written during the course of the optimization, NOT upon clicking the "Save As" button.

Christopher Mayne

On Nov 7, 2014, at 9:14 AM, Zeinab Emami wrote:

> Dear VMD, NAMD users,
> Whisle using ffTK, at the step of Opt.Charges, I the psf and pdb-opt files properly. The files are OK and I had no error or problem up to this step. I load parameter files as well, BUT when I click Save as, the file name I get in the save charge optimization windo DOSE NOT HAVE THE .LOG suffix.
> and when I click on SAVE nothing happens at all. I fail to save the ChargeOpt file each time.
> Best,
> Zinab

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