Dear Amber users:
I'm going to perform a minimisation of my starting structure .The strange thing happened when I run it,there is no min1.rst file .I am sure the command I used is right<sander -O -i min1.in -p tcp.prmtop -c tcp.inpcrd -o min1.out -r min1.rst> ,there are min1.out but no min1.rst .I don't know what went wrong .Is there any mistake in the input file or any other reasons? Thank you very much!
min1.in
&cntrl
imin=1,maxcyc=10000,ncyc=2000,
ntb=1,igb=0,ntr=0,
cut=8.0,
ntpr=100.
/
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Received on Wed Sep 30 2009 - 03:00:02 PDT
