Hi amber users,
I tried to use xmin method of minimization and my "min.in" file is as follows:----
energy minimization
&cntrl
imin = 1,
ntmin = 3,
maxcyc = 50000,
ntb = 0,
igb = 1,
cut = 12,
xmin_verbosity = 1
/
Now, when I run my job I get an error massage like follows:--
Cannot match namelist object name xmin_verbosity
namelist read: missplaced = sign
Cannot match namelist object name 1,
The job still proceeds but does not finishes the specified steps, and I got the "min.out" and "min.rst" files.
I am attaching the "min.out" file, kindly help me whether my energy minimization is correct or not.
Gunajyoti.
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- application/octet-stream attachment: min1.out
Received on Sat Feb 27 2010 - 06:00:03 PST
