Dear all AMBER users,
The system under my study is a dimer having 403 amino acids and two
Mg+2 ions at the dimer interface. The .rst formed after second step of
minimisation is comprised of the term "NaN".
We also tried the keyword iwrap=1 in input file, but the result is same.
Here is content of my input file.
min2
&cntrl
imin=1,maxcyc=2500,ncyc=1000,
cut=8.0,ntb=1, iwrap=1,
ntpr=100,
cut=8.0
/
KIndly guide me.
Thanks in advance.
--
Regards,
Poornima S. Iyer
Department of Pharmacoinformatics
National Institute of Pharmaceutical Education and Research
S.A.S Nagar, Mohali - 160062,
Punjab (India).
poornima.iyer89.yahoo.com
poornima.iyer89.gmail.com
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Received on Fri May 03 2013 - 11:00:02 PDT
