On Wed, Aug 18, 2010, Marek Maly wrote:
> &wt TYPE='TEMP0', istep1=0, istep2=25000,
> value1=0.1, value2=373.0, /
> &wt TYPE='END'
> /
> RES 5505 15418
> END
> END
>
>
> LOADING THE BELLY ATOMS AS GROUPS
>
> ----- READING GROUP 1; TITLE:
> RES 5505 15418
This is your clue: the program thinks the title is "RES 5505 15418", but
that is not the title, that is the residue list. You need to add the title
card at the beginning of each group.
...dac
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Received on Wed Aug 18 2010 - 19:00:04 PDT
