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

From: Zeinab Emami (
Date: Fri Nov 07 2014 - 11:13:04 CST

Dear Christopher G Mayne,

*Thank you for your email. Sure, I will not copy the email to the namd-list
any more; Yes, true, I am referring to OutPut Log below the input part of
Opt. Charges.*

*If I understood you well, I should simply keep on **with the next steps. I
will try this and if I face a problem I write again.*

*Sincerely Yours,*

On Fri, Nov 7, 2014 at 6:51 PM, Mayne, Christopher G <>

> Zeinab,
> 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.
> Regards,
> 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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