AMBER Archive (2009)

Subject: RE: [AMBER] .rst file error

From: ZhaoLei (jackyzhao010_at_hotmail.com)
Date: Sun Dec 27 2009 - 21:09:24 CST

Dear all friends,

   I have provided the detail runing information in there. If you need some more detail information, please contact with me immediately.
In our long-term dynamic simulation, I could not view the simulated structure by importing the input file : recin_mut.prmtop, recin_mut_md36.rst (using VMD software). I think an error occur in the 36ns. but I have resimulated the protein in the 36 ns using the same input file , the problem is still in there.

  Thank you for taking your time and Merry Christmas.

Jacky

> From: jackyzhao010_at_hotmail.com
> To: amber_at_ambermd.org
> Subject: RE: [AMBER] .rst file error
> Date: Mon, 28 Dec 2009 02:37:57 +0000
>
>
>
> In the .tar.gz file, 7 files are included.I have successfully performed
> the simulation in 36ns (recin_mut_md36.rst , recin_mut_md36.out),but in
> the next step, I could not perform the simulation using
> recin_mut_md36.rst file.
>
> > From: jackyzhao010_at_hotmail.com
> > To: amber_at_ambermd.org
> > Date: Sun, 27 Dec 2009 14:46:37 +0000
> > Subject: [AMBER] .rst file error
> >
> >
> >
> >
> >
> > Dear everyone
> >
> >
> >
> > I am performing a long-term protein dynamic simulation. But
> > in the process, I have come across an error. I have read the log file,
> > which indicates the .rst file may occur an error. I have performed this
> > simulation again. But the problem is still in there. Could you mind to
> > give me some suggestions to solve this problem?
> >
> >
> >
> > Thanks very much:)
> >
> > Jacky
> > _________________________________________________________________
> > 立刻下载最新版 Windows Live Messenger！
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