VMD-L Mailing List
From: Sundararajan Natarajan (sundararajan.natarajan_at_gmail.com)
Date: Mon Apr 15 2013 - 04:02:27 CDT
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dear Prof. Axel, Thanks for your email.
I will wait for the release. Is it possible to download the alpha version?
Thanks,
Sundar
On Mon, Apr 15, 2013 at 6:31 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
> 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.
>
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