[gmx-users] (no subject)

Upasana Ray upasanaray117 at gmail.com
Sat May 14 12:04:12 CEST 2016


yes I have removed water & the pdb file only contains  protein

On Sat, May 14, 2016 at 1:50 PM, Chalaoux, Francois-Regis <
Francois-Regis.Chalaoux at evotec.com> wrote:

> Hi,
>
> Did you removed Water ?
> Check also there is no other protein in the same file.
>
> FR.
>
> > Le 14 mai 2016 à 07:04:15, Upasana Ray <upasanaray117 at gmail.com> a
> écrit :
> >
> > Dear  user,
> >
> > I have generated my final protein.pdb file by using trjconv command from
> > .xtc file. The size of my pdb file is 0.98 GB, so whenever I am opening
> it
> > for docking purpose my computer is freezing. Now how can I reduce my pdb
> > file size  from GB to MB for using it properly. please help me to deal
> > with this problem.
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