AMBER Archive (2008)

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

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Sat Nov 15 2008 - 09:44:32 CST

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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