On Sun, Jul 20, 2014, Jonathan Gough wrote:
>
> 5. REFERENCE ATOM COORDINATES
>
> default_name
> ----- READING GROUP 1; TITLE:
> Hold lipid fixed
>
> GROUP 1 HAS HARMONIC CONSTRAINTS 10.00000
>
> rfree: Error decoding variable 4 2 from:
> RES 328 1161
...
>
> Hold lipid fixed
> 10.0 ! Force constant (kcal/(mol Angstroms^2))
> RES 328 1161 ! Choose residues
> END
> END ! End GROUP input
The code that parses the GROUP input doesn't know about Fortran style
comments. You will have to leave those out (maybe just on the "RES" line).
....dac
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Received on Mon Jul 21 2014 - 04:00:03 PDT
