AMBER Archive (2008)

Subject: Re: AMBER: Trajectory file ended and unit 24 error on open inptraj

From: Siddharth Rastogi (siddharthrastogi08_at_gmail.com)
Date: Sun Nov 16 2008 - 00:18:59 CST

yes i have attached all patches

On 11/15/08, Carlos Simmerling <carlos.simmerling_at_gmail.com> wrote:
>
> have you applied all patches?
>
>
>
> On Sat, Nov 15, 2008 at 10:33 AM, Siddharth Rastogi
> <siddharthrastogi08_at_gmail.com> wrote:
> > Dear Amber users,
> >
> > I am trying to calculate SASA using sander.
> > Here is the input file
> >
> > SASA calculation
> > &cntrl
> > imin=5,
> > gbsa=2,
> > igb=1,
> > ntb=0,
> > surften=1,
> > &end
> >
> > I have removed water from mdcrd file using ptraj.
> >
> > $AMBERHOME/exe/sander -O SASA.in -o SASA.out -p TY.top -c TY.crd -x
> > TY.mdcrd
> >
> >
> >
> > if in the above line if I use -x TY.mdcrd :The error is : Unit 24 Error
> on
> > OPEN: inptraj
> >
> > if I use -y TY.mdcrd : There is no error but under results I have the
> > following :Post processing of trajectory energies and Trajectory file
> ended
> > Can any one help me in this regard.
> >
> > Thanks in advance
> >
> > Siddharth Rastogi
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-- 
Siddharth Rastogi

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