AMBER Archive (2009)

Subject: [AMBER] Question on REST and VALUE1 keywords

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Hi,

I want to run a simple restraint minimization and the input is as follow:
--------------
 &cntrl
   maxcyc=1000,
   imin=1,
   ntmin=1,
   ncyc=50,
   cut=15,
   rgbmax=15,
   ntb=2,
   ntp=1,
   igb=0,
   ntpr=100,
   nmropt=1,
 &end
#
&wt type='REST', istep1=0, istep2=0, value1=1000.0, value2=1000.0, &end
&wt type='END', &end
DISANG=figure-4a.ang_rst
---------------
My question is, in this case, what is the physical meaning of VALUE1 and
VALUE2? What is the unit of the value given?

Thanks,
Howard

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• Previous message: nicholus bhattacharjee: "[AMBER] Am I doing the right thing"
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