Re: [AMBER] rmsd

From: Sajeewa Pemasinghe <sajeewasp.gmail.com>
Date: Tue, 17 Sep 2013 07:34:30 -0400

Hi,

To visualize in VMD, first you have to load your prmtop file and then load
the mdcrd on top of that. Then you will be able to visualize. Make sure you
select the correct file types for prmtop and the mdcrd.

HTH

Sajeewa Dewage


On Tue, Sep 17, 2013 at 2:43 AM, 김준기 <1ruwayo.gmail.com> wrote:

> > Hi Daniel Roe
> > I received your mail and did what you taught me.
> > It is very helpful to me. Thank you for your teaching.
> >
> > But I have a problem. I can't see result(mdcrd file) calculated by
> amber11 in using VMD.
> > This is mdin file. Could you tell me what is problem?
> > Equilibration
> > &cntrl
> > irest=0, ntx=1,
> > nstlim=100, dt=0.002,
> > irest=0, ntt=3, gamma_ln=1.0,
> > temp0=XXXXX, ig=RANDOM_NUMBER,
> > ntc=2, nscm=1000,
> > ntb=0, igb=1,
> > cut=15,
> > ntpr=100, ntwx=100, ntwr=100, ntwe=100,
> > nmropt=0,
> > numexchg=250000,
> > /
> > &wt TYPE='END'
> > /
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Received on Tue Sep 17 2013 - 05:00:02 PDT
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