VMD-L Mailing List

From: Yogesh Sharma (yogesh.rma13_at_gmail.com)
Date: Tue Sep 15 2020 - 10:02:19 CDT

Error you are getting is because of limited availability of force fields
and parameterization of arsenic containing compounds I am also looking for
arsenous acid. Any help will be appreciated.

On Tue, 15 Sep, 2020, 7:15 pm Raman Preet Singh, <
ramanpreetsingh_at_hotmail.com> wrote:

> Try http://charmm-gui.org/?doc=input/ligandrm
>
> Get Outlook for Android <https://aka.ms/ghei36>
>
> ------------------------------
> *From:* owner-vmd-l_at_ks.uiuc.edu <owner-vmd-l_at_ks.uiuc.edu> on behalf of
> Basanta Acharya <achchirangeebi_at_gmail.com>
> *Sent:* Tuesday, September 15, 2020 5:29:12 PM
> *To:* vmd-l_at_ks.uiuc.edu <vmd-l_at_ks.uiuc.edu>
> *Subject:* vmd-l: Regarding arsorite files
>
> Namaste everyone,
> I am going to pass arsorite - water solution through a carbon nanotube to
> see the adsorption nature of CNT. I have downloaded sdf file of arsorite
> and converted it to .mol2 format using openbabel then i got problem in
> generating psf file as i donot have topology files. how can i obtain its
> topology files ? How can i generate psf file? and how can i get parameters
> file for this work?
>
> Looking for good solution. Thank you!
>
> Regards
> Basanta Acharya
> mail: achchirangeebi_at_gmail.com
>