VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Wed Mar 13 2019 - 03:25:10 CDT

Hi Hasnain,

I am not sure about what frc or mdf files are/contain? Could you please
give some more information on these file formats.

Secondly to generate a PSF file you will need a PDB or any other file which
can be read into VMD to provide a 3D structure of the molecule for which
you want to generate a PSF.
You will also want an accompanying topology file which contains the
topological definition of your molecule. If your molecule is a standard
protein or a molecule which is fairly standard you should be able to find
these in the charmm36FF otherwise you will have to generate the topology
and parameters for your molecule of interest.

Hope this answers your question.

On Wed, Mar 13, 2019 at 3:45 PM Hasnain Shabbir <
shabbirhasnain038_at_outlook.com> wrote:

>
>
> Dear VMD users,
>
> I know to visualize a structure I need psf file along with dcd in *VMD*
> as psf contains all information related to structure .
>
> For windows how can I generate a psf file.
>
> I can use auto psf builder but what should be the input , will a frc file
> will work as an input or mdf ?
>
>
>
> Thanks in advance.
>
>
> 

-- 
Best,
/A