[gmx-users] Re: Automated Topology Builder job partially completed

James Starlight jmsstarlight at gmail.com
Sat Jun 9 16:30:41 CEST 2012


I have also question about inclussion of the part of the topology file wich
was done by the external server ( e.g by ATB) in the topology of my

E.g I'm working with GFP wich include non-standart chromophore group wich
is covalent bonded to the all protein. So I've extracted chromophore only
from my GFP and done it parametrisation by ATB. What is the easiliest way
to include this new topology as well as part of the molecule back to the
whole GFP?



2012/6/8 <noreply at compbio.biosci.uq.edu.au>

> Dear Novikov Gleb,
> Your job that was submitted at 2012-06-09 03:08:37 (RNME = _MAZ) has now
> partially completed. Initial results are available here<http://compbio.biosci.uq.edu.au/atb/download.py?session=5194>
> .
> Thank you!
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