AMBER Archive (2007)

Subject: AMBER: refc error

From: Lili Peng (lilipeng_at_gmail.com)
Date: Mon Jul 16 2007 - 18:56:11 CDT

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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