VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Apr 15 2013 - 03:31:34 CDT

On Tue, Apr 2, 2013 at 9:06 PM, Sundararajan Natarajan
<sundararajan.natarajan_at_gmail.com> wrote:
> hello all,
> i am running VMD 1.9.1 on mac mountain lion. I want to create boron-nitride
> sheets, which has a bond length of 1.4A. I did this with command prompt
> graphene -lx 1 -ly 1 -nlayers 1 -cc 0.145
>
> But it creates sheets with bond length 0.1418 (which is the default). My
> question is: is it possible to override this option so that we could create
> other types of nanosheets?

the flag to adjust the bond length was only added to VMD 1.9.2alpha7.
please see: http://www.ks.uiuc.edu/Research/vmd/vmd-new/devel.html

axel.

>
> Thanks in advance for all your help,
> Sundar
>
>
> On Tue, Apr 2, 2013 at 11:20 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
>>
>> On Tue, Apr 2, 2013 at 1:26 PM, Sundararajan Natarajan
>> <sundararajan.natarajan_at_gmail.com> wrote:
>> > Hello All,
>> >
>> > I have used VMD carbon nanotube builder. Would it be possible to
>> > generate
>> > other nanotubes using the command line option
>> >
>> > graphene -lx <length> -ly <length> -type <armchair|zigzag> [-nlayers
>> > <number
>> > of layers>] [-b <0|1>] [-a <0|1>] [-d <0|1>] [-i <0|1>] [-cc <blength>]
>>
>> this is the command to generate graphene sheets. difficult to do
>> nanotubes with it.
>> what do you mean by "other than CNT".
>>
>> > I have tried this with -cc <blength>, default is C-C bond, 0.1418. I
>> > tried
>> > to change this, but it does not work.
>>
>> "does not work" is a useless description. it *does* work for me and
>> now this help you??
>>
>> so you'll have to provide more details: what exactly did you do? and
>> what did you expect? and what did you get instead?
>>
>> ...and always specify which version of VMD and what OS you are using.
>>
>> > Could you please provide me with suggestions.
>>
>> please me more specific or else nobody will be able to help you.
>>
>> thanks,
>> axel.
>>
>> > Thanks,
>> > Sundar
>>
>>
>>
>> --
>> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
>> International Centre for Theoretical Physics, Trieste. Italy.
>
> 

--
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.