Hi,
> forrtl: severe (24): end-of-file during read, unit 5, file
> /home/free_1_0.1/
> min_v1.in, line 13, position 0
sander does not recognize something in your mdin file or expects something
else before it ends.
> Here is the input file:
>
> free_1_min_v0_0.1
> &cntrl
> imin = 1, ntx = 1,
> maxcyc = 2000,
> ntpr = 100,
> ntf = 2, ntc = 2,
> ntb = 1, cut = 10.0,
> icfe = 1, clambda = 0.1
> ifsc = 0,
> crgmask ="
> scmask ="
> /
you need closing quotes after each ". An empty string looks like this: ""
or this '' (two double quotes or two single quotes). Also, it's a guess,
but try adding commas, after every command...
Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Tue Feb 07 2012 - 01:30:03 PST
