AMBER: imin=5 and inptraj

From: Nikola Trbovic <>
Date: Sat, 11 Aug 2007 16:11:08 -0400

Dear Amber community,

I would like to reanalyze one of my trajectories with the imin=5
functionality of sander. I read in the archives that amber9 sander does
not support the -y flag anymore, but that the -x flag should be used
instead. I cannot get it to work however. Executing the command

sander -i in -o out -p prmtop -c rst -x mdcrd -O

produces no error but finishes instantaneously without doing anything.
Inspection of the output reveals the following lines:


 Trajectory file ended

Here's the input file:

Energy Calculation
   imin=5, maxcyc=1,
   dx0=0.00000001, ntpr=1,

What am I doing wrong?

Many thanks in advance,

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Received on Sun Aug 12 2007 - 06:08:10 PDT
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