Hi,
I just ran a very initial energy minimization on a regular protein using,
sander -O -i min1.in -o min1.out -p protein.prmtop -c protein.inpcrd -r min1-out.rst
it always gives error like,
============
Unit 10 Error on OPEN: refc
============
since this is the first step, and here -r .rst is an output file, I am confused.
I am pretty sure my all 3 input files are all there and ok.
Yao
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Received on Fri Oct 14 2011 - 15:30:02 PDT
