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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 19 2009 - 19:34:41 PDT
