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:
4. RESULTS
--------------------------------------------------------------------------------
POST-PROCESSING OF TRAJECTORY ENERGIES
Trajectory file ended
Here's the input file:
Energy Calculation
&cntrl
imin=5, maxcyc=1,
dx0=0.00000001, ntpr=1,
/
What am I doing wrong?
Many thanks in advance,
Nikola
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Received on Sun Aug 12 2007 - 06:08:10 PDT
