On Wed, Apr 28, 2010, Alan wrote:
>
> During 'make test' for AT 1.4 'sleap' seemed OK. However, using on a real
> case and I have this issue:
>
> sleap
> [gtkleap]$ source leaprc.ff99bsc0
> [gtkleap]$
> [gtkleap]$ source leaprc.gaff
> Info: ignoring unknown atom type: cz
> Info: while reading BOND. Input: cz nh 487.8 1.3391 SOURCE4
> 32 0.0045
You can ignore the "Info:" messages....we will have a patch soon to remove
them, however.
> Running: /Users/alan/Programmes/amber11/bin/sqm -O -i sqm.in -o sqm.out
>
> Error: sparm type does not exist!
> calling "mdlize_mdb( )"
> calling "mdlize_resd_bymdb( )"
> [gtkleap]$
We are working on this...thanks for the report.....dac
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Received on Thu Apr 29 2010 - 07:00:04 PDT
