[gmx-users] protein-protein complex
tsjerkw at gmail.com
Tue Jul 3 13:44:46 CEST 2007
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 <fulyacaglar at yahoo.com> 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
> Building a website is a piece of cake.
> Yahoo! Small Business gives you all the tools to get online.
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
More information about the gromacs.org_gmx-users