[gmx-users] protein-protein complex
fulyacaglar at yahoo.com
Tue Jul 3 14:57:01 CEST 2007
Thank you very much Tsjerk!!! I feel very stupid now .
Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:
If your ligand is a protein, then use pdb2gmx!
There's nothing special with 'being a ligand', and it's certainly not
required to run it through PRODRG, because someone decided that part
was to be called ligand, whereas the other part was not.
On 7/3/07, fulya caglar wrote:
> Hi all !
> We want to MD simulation of a protein-protein complex.We can't prepare itp.
> and gro files with PRODRG server.Because there are too many atoms in my
> ligand (which is a protein). How can we prepare the .itp and .gro files?Are
> there any tutorial for a protein protein complex?
> Best Regard
> Hacettepe University
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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