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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- application/octet-stream attachment: sleap.in
Received on Fri Jun 17 2011 - 02:00:03 PDT
