Dear Amber users,
I would like to perform energy minimization of compound in water, first with restrain on mu compound only which is formed from 4260 atom, when i submitted a job i get an error in the file attached. Can any one help me to solve it
Regards
rasha
the minimization input file contain:
initial minimization prior to MD with restrain on x
&cntrl
imin=1,
maxcyc=2000,
ncyc=500,
ntb=0,
ntr=1,
ntpr=10,
cut=12
/
Hold the x fixed
500.0
ATOM 1 4260
END
END
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jun 05 2013 - 12:00:04 PDT
