VMD-L Mailing List

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Thu Jan 27 2011 - 07:37:57 CST

Dear ahmet yldrm,
I advise you to learn some VMD/TCL scripting, but this should get you
started:

set prot [atomselect top "protein"]
$prot writepdb without-water.pdb
$prot delete

Regards,
Ajasja

2011/1/27 ahmet yldrm <ahmedo047_at_gmail.com>

> Dear users,
>
> I want to remove all waters from the xxx.pdb file. Then, I want to save the
> pdb file (new pdb) without waters because I need to simulate without water.
> I looked at mail list but I could not find the answer I wanted.
>
> What should I do?
>
> Thanks in advance
>
>
> --
> Ahmet YILDIRIM
>