VMD-L Mailing List
From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Apr 15 2013 - 03:19:26 CDT
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On Mon, Apr 15, 2013 at 1:20 AM, Anurag Sharma
<Anurag.Sharma_at_my.ndsu.edu> wrote:
> 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.
"does not work" is a completely inappropriate description. if you
cannot provide an accurate and easy to follow description to reproduce
what you are doing and an explanation how you determine that it "does
not work", then somebody can help you. other than that, there is
little that can be done, because it *does* work (for me).
axel.
>
> 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
>>
>>
>
>
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy.
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