On Sun, 12 Jun 2005, Dyda wrote:
I'd like to know what charges Pymol uses when
generates a pqr file from a pdb.
The follow-up would be is whether there was
a way to change this, say if one wanted to
use charmm charges rather than amber.
PyMOL uses amber99 charges and radii. This is taken car
> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net
> [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of Dyda
> Sent: Sunday, June 12, 2005 5:38 PM
> To: pymol-users@lists.sourceforge.net
> Subject: [PyMOL] Pymol/ABPS
>
>
>
Hi,
I'd like to know what charges Pymol uses when
generates a pqr file from a pdb.
The follow-up would be is whether there was
a way to change this, say if one wanted to
use charmm charges rather than amber.
It seems that APBS hates chain IDs. Is that
really so, or just my imagination?
Thanks
