Hi all,
I am trying to freeze different atom and I am not quite sure about the
syntax for this.
1. Is it possible with a simple command to freeze all non-hydrogen atoms?
2. If I want to freeze atom 1-9 and then 20-60 how do I do that for 1-9 I
would do the following
&cntrl
imin=1,
maxcyc=10000,
ncyc=5000,
ntb=0,
ntc=1,
cut=12,
ntr=1
/
Hold the atoms fixed
500.0
RES 1 9
END
END
Any comments or suggestions appreciated - thanks in advance
Best
Jorgen
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Received on Wed May 20 2009 - 12:22:33 PDT
