VMD-L Mailing List

From: eric hu (erichu_linux_at_yahoo.com)
Date: Thu Oct 10 2002 - 20:27:11 CDT

I don't know what you mean. I generated a movie file
specifically for molden from a dynamics simulation and
now I want to make a single movie file out of vmd
which I can use for presentation. I don't know what
kind of xyz format VMD requires. The molden xyz format
is shown below:
          90

H 1.40991089 -2.21608925
 -1.67898951
H 2.67237271 1.83803937
 -0.82090295
H -3.03770597 -1.14451556
  3.75043199
H -2.28587949 -1.10947653
  1.39188947
H 3.27545810 0.69692463
 -2.80424123
H 1.32239784 1.84191837
  1.24408438
H 0.04786402 -2.21233424
  0.44588886
H -3.33167216 3.06324516
 -0.45361872
H -1.46660196 -0.18113393
 -1.30194026
H -3.11195902 0.68820163
  3.79014402
H -3.17002906 -0.28179700
 -1.82562060
H -3.36528818 2.07812052
 -1.93296467
H -1.80366818 2.56266083
 -1.22199021
H -2.64445872 -1.10184553
 -0.33379964
H 3.54198727 -1.65065788
  4.47432502
H 4.66886299 -0.63426623
 -4.66333643
H 3.17581803 0.06355822
  4.72522318
C -0.14571711 -0.19364594
  2.18491398
C 0.62275339 -0.19364594
  0.98364221
C -2.72522077 -0.20410595
  3.29237670
C -2.51079563 -0.19933695
 -0.95169504
C 2.12817336 -0.20570595
 -1.35939330
...
90

H...

Eric
--- "B. Bennion" <bbennion_at_u.washington.edu> wrote:
> Hi Eric,
>
> Do you have babel installed (correctly)?
> VMD uses this program to read in atoms in a
> multitude of different
> formats. There are several xyz formats and babel
> will recognize them if
> installed properly.
>
> Brian
>
>
> On Thu, 10 Oct 2002, eric hu wrote:
>
> > Date: Thu, 10 Oct 2002 15:57:13 -0700 (PDT)
> > From: eric hu <erichu_linux_at_yahoo.com>
> > To: vmd-l_at_ks.uiuc.edu
> > Subject: molden xyz movie
> >
> > Hi, I generated a xyz format movie with molden.
> VMD
> > does not seem to read it. I wonder if this is the
> same
> > xyz format that vmd requires or I need to do some
> > modifications. Thanks.
> >
> > Best,
> > -Yunfeng
> >
> >
> >
> > __________________________________________________
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>
>
>
> Graduate Research Assistant
> Dep. Medicinal Chemistry, University of Washington
> Tel# (206)616-2779
> BOX 357610 Seattle WA 98195
>
> email--bbennion_at_u.washington.edu
> web page--http://students.washington.edu/bbennion
>

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