VMD-L Mailing List

From: Danu Fajar (dfr879_at_gmail.com)
Date: Sun Feb 26 2017 - 10:50:23 CST

Hi Joao

I can confince you that the path is correct and I can see the file inside
that path.
I use version 1.9.3 platform

Is the PSF file that I created from auto PSF could be the problem?
the Input files was the PDB that I downloaded from rscb.org and for the
input of PSF file, I use "automatic PSF builder" to make the PSF file from
the PDB that I downloaded.

Or Should I use QwikMD for easier way including prepare the PDB and PSF ?
or will it be more complicated ?
Actually I haven't try the QjwikMD.

Best Regards,
Danu

On Fri, Feb 24, 2017 at 12:52 AM, João Ribeiro KS <jribeiro_at_ks.uiuc.edu>
wrote:

> Hi Danu,
>
> sorry for the delay. Before the line starting as "FATAL ERROR:..." there
> is a line starting with "info:" stating the FULL PATH of the configuration
> file. Is that path correct? Can you find the file inside that path?
>
> Another question that I should have done in the beginning, on which
> platform are you running VMD and NAMD?
>
> Best wishes
>
> Joao
>
> On Sat, Feb 11, 2017 at 12:03 PM Danu Fajar <dfr879_at_gmail.com> wrote:
>
> Hi Joao,
>
> Thank you for the link of tutorials, I'm sorry to made you do that because
> I didn't read whole tutorials, and unfortunately I miss those tutorials. I
> think I need to study from the begining of NAMD tutorials. but if you find
> anymore solution for my problems, please tell me.
>
> Here comes another problem, in CKMD.out file, it said
> "FATAL ERROR: Unable to access config file CKMD.namd"
>
> And when I tried to open th CKMD.namd file which is created in the same
> folder as CKMD.out file, it's just shows the parameters of simulation. I
> think don't find any error in this file.
>
> So what's wrong with it ?
>
> It's okay if you can't help me anymore. I just don't want you to feel
> burdenned with these problems..
>
> Best Regards,
>
> Danu
>
> --
> ……………………………………………………...
> João Vieira Ribeiro
> Theoretical and Computational Biophysics Group
> Beckman Institute, University of Illinois
> jribeiro_at_ks.uiuc.edu
> +1 (217) 3000380 <(217)%20300-0380>
>