[AMBER] sleap never worked anymore since AT 1.2

From: Alan <alanwilter.gmail.com>
Date: Fri, 17 Jun 2011 09:45:01 +0100

Hi there,

I am testing AT 1.5 with sleap and now I get this:

sleap -f sleap.in

Warning: cannot find template for residue DMP in our library.
         I am going to construct the template by myself.
         OK. I have fixed bond order and added hydrogens.
         Now I am calling antechamber to assign atom type and partial
charge.



Total number of electrons: 302; net charge: 0

Running: /Users/alan/Programmes/amber11/bin/sqm -O -i sqm.in -o sqm.out


Error (get_svec): sparm type does not exist!
calling "mdlize_mdb( )"
    calling "mdlize_resd_bymdb( )"


 sleap.in and dmp.pdb attached.

Thanks,

Alan

-- 
Alan Wilter SOUSA da SILVA, DSc
Bioinformatician, UniProt - PANDA, EMBL-EBI
CB10 1SD, Hinxton, Cambridge, UK
+44 1223 49 4588




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Received on Fri Jun 17 2011 - 02:00:03 PDT
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