Hi Mark,
Two months ago I send a mail to Gromacs user to leran how I generate the .itp
file and Tsjerk told me that I should use pdb2gmx.So I used it!Could you tell
me how can I prepare
.itp file,please?My time is running out and my supervisor wait for some
results from me!!
Thanks very much!!!
Fulya
>Hi Fulya,
>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.
Tsjerk
On 7/3/07, fulya caglar <[EMAIL PROTECTED]> 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
> Fulya
>
Mark Abraham <[EMAIL PROTECTED]> wrote:
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