[Xplor-nih] Termination when reading in DIPO restraints

[Charles at Schwieters.org]

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Hello John--

> 
> I have a problem when reading in DIPO restraints: the program doesn't 
> seem to correctly read in the value and error after the assign 
> statement, so that after the first restraint, it crashes.  I'm using the 
> classical XPLOR interface (i.e. not the python interface).

the problem is here:
> 
> My table file has the following format:
> 
>        assign (segid "    " and resid    500 and name OO )
>           (segid "    " and resid    500 and name    Z )
>           (segid "    " and resid    500 and name    X )
>           (segid "    " and resid    500 and name    Y )
>           (segid "    " and resid    13 and name   C )
>           (segid "    " and resid    13 and name   HN )
>       16.384 1.00

The DIPO (also called XDIPO) XPLOR potential takes a third numeric
argument. There are examples in
eginput/dna_refi. e.g. dipolar_ribose_nico.tbl.

The online help and manual entries for this statement are incorect and
will be fixed.

best regards--
Charles
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