AMBER Archive (2008)

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

From: Siddharth Rastogi (siddharthrastogi08_at_gmail.com)
Date: Sat Nov 15 2008 - 09:33:10 CST

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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