Dear all,
I am having trouble running a restrained energy minimization on an organic
molecule. When I try to run it in Sander, I type in:
" $AMBERHOME/exe/sander.1cpu -O -i min1.in -o min1.out -p taxol.prmtop -c
taxol.inpcrd -r min1.rst "
My min1.in consists of:
" Initial minimization of structure
&cntrl
imin=1, maxcyc=200,
ntpr=10,
ntr=1,
ibelly=1,
bellymask=':1-20',
/
"
However, when I try running the minimization, I get the error:
" Unit 10 Error on OPEN: refc"
I Googled this problem, and I get some hits about specifying a refc file.
How do I go about doing so?
Thanks in advance,
Lili
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Received on Wed Jul 18 2007 - 06:07:35 PDT
