VMD-L Mailing List
From: Anil Kumar (anilk_at_jncasr.ac.in)
Date: Tue Dec 11 2007 - 04:20:07 CST
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Dear Eddi and all,
First, thank you for your reply. Yes I am using graphical interface and I
checked it after activating the
1. Update selection every frame
2. Update color every frame.
But unfortunately it did not work. I am attaching my trajectory file with
this email and I would appreciate if any of you could solve this problem.
Thanks
Anil
> >
> > On Dec 11, 2007 2:06 PM, Eduard Schreiner <eduard.schreiner_at_rub.de >
wrote:
> >
> > > Hi Anil,
> > >
> > > I assume you are using the graphical interface.
> > > It sounds like the selection is not updated every frame.
> > > Thus, activate:
> > > "Update SelectionEvery Frame"
> > > and
> > > "Update Color Every Frame"
> > > for your selections in
> > > Graphics -> Representations -> Trajectory
> > >
> > >
> > > Hope this helps.
> > >
> > >
> > > Eddi
> > >
> > >
> > >
> > > On Tuesday 11 December 2007 05:43, Anil Kumar wrote:
> > > > Dear all,
> > > >
> > > > I want to make a movie, in VMD, of a trajectory(xyz coordinate
> > > file)
> > > > which is obtained from MC simulation. Trajectory file has two type
> > > of
> > > > atoms (say A and B). Initial configuration has 10% of A atoms and
> > > 90% of B
> > > > atoms. During the simulation number of A type atoms increases and
> > > number
> > > > of B type atoms decreases. Final configuration has say 80% of A and
> > > 20% of
> > > > B atoms.
> > > >
> > > > 1. Now I have given two elemental name for A and B atoms (say Ar &
> > > Na).
> > > > When I visualize this file in VMD. Then color code it shows only
> > > from the
> > > > initial configuration(I mean 10% of particles have color A and 90%
> > > of
> > > > particles have color B.) But it can't visualize the way the number
> > > of A
> > > > particles have increased during simulation.
> > > >
> > > >
> > > > 2. Also, If I take only A type of Atoms in my trajectory file, so
> > > this
> > > > trajectory file contains different number of Atoms in different
> > > frame(As
> > > > number of A type atoms increases during simulation). VMD can't
> > > visualize
> > > > this file.
> > > >
> > > > Could you please help me how to visualize above both type of
> > > trajectory
> > > > in VMD.
> > > >
> > > >
> > > > Thanking you in anticipation.
> > > >
> > > > With Best Regards,
> > > > Anil
> > > >
> > > >
> > > >
> > > >
> > > >
> > > > **************************
> > > > Anil Kumar
> > > > Research Scholar
> > > > Theoretical Sciences Unit
> > > > JNCASR, Bangalore
> > > > India -560064
> > > > Phone : 080-22082834
> > > > Mob. : 09342399856
> > > > Email:anilk_at_jncasr.ac.in
> > > > **************************
> > >
> > > --
> > >
> > > --
> > >
> > >
> > > =============================================================================
Eduard Schreiner e-mail:
> > > eduard.schreiner_at_theochem.rub.de
> > > Lehrstuhl fuer Theoretische Chemie Phone: ++49
> > > (0)234/32-22121
> > > Ruhr-Universitaet Bochum - NC 03/52 Fax: ++49
> > > (0)234/32-14045
> > > D-44780 Bochum
> > > http://www.theochem.rub.de
> > >
> > > =
*************************
Anil Kumar,
Graduate Student,
Theoretical Sciences Unit,
JNCASR, Bangalore -560064
India
Phone : +91 80 2208 2834
***************************
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