Hi,
I'm doing energy analysis with AMBER11 based on MD trajectories. My input
file is fairly simple:
md,min
&cntrl
irest=0,
nstlim=1000000,dt=0.001
cut=9, maxcyc=1,ntmin=2,imin=5,vlimit=0.0,
/
It keeps printing out restrt file although I didn't set ntwr. Is there way
to completely disable the printing of the restart file during energy
extraction.
Thanks in advance
DJ
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Received on Tue Oct 05 2010 - 17:00:02 PDT