VMD-L Mailing List

From: Anurag Sharma (Anurag.Sharma_at_my.ndsu.edu)
Date: Sun Apr 14 2013 - 18:20:09 CDT

Thanks for the reply josh. Actually it is not just a specific CNT. I was trying with different n,m and in each case I have a problem with impropers.
I tried addimpropers but did not work. The no of atoms are fairly large so I was wondering is there any command which can work here.

Regards

Anurag

Sent from my iPhone

On Apr 14, 2013, at 5:44 PM, "Josh Vermaas" <vermaas2_at_illinois.edu> wrote:

> Knowing absolutely nothing about what CNT is, and seeing that you are
> using topotools, couldn't you just add them in manually? topo
> addimproper is a command that exists, and would add impropers if you
> should desire them.
> -Josh
>
> On 04/14/2013 04:30 PM, Anurag Sharma wrote:
>> Hi,
>>
>> I have build a CNT using VMD. I am able to construct psf file using topo tools which has bonds, angles and dihedrals. But I am getting 0 impropers every time. Can somebody tell me how to deal with this problem.
>>
>> Thank you
>>
>> Anurag Sharma
>
>