When I use the following min.in file:
min 1st time for ctz 2ps
&cntrl
imin=1,maxcyc=1000,ncyc=500,
cut=8.0,ntb=1,
ntc=2,ntf=2,
ntpr=100,
ntr=1,
/
500.0
RES 1 252
END
END
I get the following error message:
----- READING GROUP 1; TITLE:
500.0
rfree: Error decoding variable 1 3 from:
RES
Can someone see a problem with my min.in file? Maybe how I have the the order of some things in there?
Thanks,
Chris
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon May 07 2012 - 12:30:02 PDT
