Re: [AMBER] simulating complexes

From: Marek Maly <marek.maly.ujep.cz>
Date: Thu, 04 Jul 2013 17:52:42 +0200

Hi Ayesha,

if you have two components (e.g. separate PDB, MOL2 files) and
want to create some initial complex system using those structures,
you might consider to use UCSF Chimera software (
http://www.cgl.ucsf.edu/chimera/ ).

   Best,

     Marek



Dne Thu, 04 Jul 2013 18:00:53 +0200 Ayesha Fatima
<ayeshafatima.69.gmail.com> napsal/-a:

> Dear All,
> I maybe askinga very silly question but I want to simulate a protein
> complex and a bound ligand. I am unsure of preparing the protein complex
> made of two proteins. I tried looking over the internet and the mailing
> list but i am unsure of my keywords to search properly. I am sure, most
> of
> you ahve some experience with this. My question is do i prepare the two
> separately or the whole complex as one? in case they are prepared
> separately how do we concatenate the the two files again as a complex?
> I would appreciate a reference to literature if someone has it.
> Thank you in advance
> regards
> ayesha fatima
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Received on Thu Jul 04 2013 - 09:30:03 PDT
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