Hi,
You can use ampdb or ptraj to do this
To use ampdb:
ampdb -p xxx.top < xxx.rst > xxx.pdb
To use ptraj:
cat > pdb.in << EOF
trajin xxx.rst
trajout xxx.pdb pdb
go
EOF
ptraj xxx.top pdb.in
Good Luck!
Sincerely,
Wei
Evan Kelly wrote:
> Hi Everyone,
>
> This is probably a simple question, but I am trying to create a .pdb
> file from the sander output of a simulation I've done. I have the
> original .pdb file, inpcrd file, prmtop file, and the outputted .rst
> file. Can anyone suggest how this can be done?
>
> Thanks!
>
> ----------------------------------
> Evan Kelly
> ebkelly.ualberta.ca <mailto:ebkelly.ualberta.ca>
>
>
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Received on Sun Jul 23 2006 - 06:07:08 PDT
