I ran some test runs of minimization before trying this, but now I am
getting an error associated with the belly atom definition when I try
MD. I am new to using AMBER 7, so hopefully it is a simple error or typo.
I noticed a similar message on the AMBER message board, but I wasn't able
to troubleshoot my error. Following my signature are the error message and
the mdin file.
Thanks,
K. Gilbert
NJIT
Error at the end of mdout:
...
LOADING THE BELLY ATOMS AS GROUPS
----- READING GROUP 1; TITLE:
rfree: Error decoding variable 2 2 from:
Group input
<mdin follows...>
MD run with belly
&cntrl
ntb=0, nstlim = 500,
ntpr = 100,
cut=15.0, igb=0,
ntwr=100000, ntwx=100,
ntx=1, irest=0,
ntc=1, ntf=1, tol=0.00001,
dt=0.002,
ibelly=1,
tempi=313.2,temp0=313.2,
ntt=1,
imin=0, maxcyc=10,ncyc=100,
&end
Group input
500.0
RES 3 4
END
END
Received on Mon Dec 30 2002 - 14:58:19 PST
