VMD-L Mailing List
From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Fri Jul 20 2007 - 13:59:56 CDT
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- In reply to: snoze pa: "Autopsf"
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Hi Snoze,
this can't be done directly within autopsf. You can make use of paratool
to get such parameters; a box should pop up in autopsf when you have an
unknown residue directing you on getting started. You can find a
paratool tutorial at
http://www.ks.uiuc.edu/Research/vmd/plugins/paratool/usersguide.html,
and should also read the "Parameterizing a novel residue" tutorial at
http://www.ks.uiuc.edu/Training/Tutorials/science/forcefield-tutorial/forcefield-html/.
Peter
snoze pa wrote:
> Dear VMD users,
> I found autopsf very useful. I have a ligand for which partial
> information is already known in charmm parameter
> and topology file. How can i use autopsf to complete the task. How to
> load the partial charmm parameter/top file
> inside vmd autopsf. Is there any detail tutorial how create psf file
> for logand. I check it in vmd website but didn't
> find a tutorial. It will be great of you can provide one such tutorial.
> thanks in advance
>
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- In reply to: snoze pa: "Autopsf"
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