VMD-L Mailing List

From: Mohan maruthi sena (maruthi.sena_at_gmail.com)
Date: Thu Sep 19 2013 - 04:52:34 CDT

Sorry a small change , in the 2) I could not generate the required psf
file.

On Thu, Sep 19, 2013 at 2:08 PM, Mohan maruthi sena
<maruthi.sena_at_gmail.com>wrote:

> Hi all,
> I was practicing the screen cast tutorials available for fft.
> I could generate all the required files up to 5 the step. In the 5th step
> of the tutorial optimization of charges 2, we need to provide cmd log and
> wat log single point energies generated from gaussian. My doubt is as
> follows:
>
> 1) we are not generating prld-sp.log in the earlier step
> 2) If i taken the compound indiviually and perform single point
> calculations, i could see the desired output mentioned in the tutorial.
>
> Please suggest me how to generate prld-sp.log files.
>
>
> Thanks and regards,
> Mohan
>
>