VMD-L Mailing List

From: Nguyen Hoang Phuong (phuong_at_theochem.uni-frankfurt.de)
Date: Wed Apr 03 2002 - 12:49:57 CST

Dear Paul,

I know that my pdb files have many ideltical water molecules but that is
my purpose. VMD works fine for each pdb file (even though there are
duplicate waters in that file). If VMD use the criterion distance to make
the bonds for each pdb file then there will be no problem, isn't it?

Regards,

Phuong
-----

On 3 Apr 2002, Paul Grayson wrote:

> John wasn't clear about this in his email: your pdb files have many
> duplicate copies of water molecules (you have only 10 waters but 66
> atoms!) Fix that and the problem will go away.
>
> -Paul
>