[gmx-users] (no subject)

Pratiti Bhadra pratiti.bhadra at gmail.com
Sat May 14 12:25:10 CEST 2016


How many frames do u save using trjconv?. Can you please post your full
trjconv command here.
On 14 May 2016 18:21, "Chalaoux, Francois-Regis" <
Francois-Regis.Chalaoux at evotec.com> wrote:

> What is your protein, PDB Id ?
>
> FR.
>
> > Le 14 mai 2016 à 12:04:09, Upasana Ray <upasanaray117 at gmail.com> a
> écrit :
> >
> > 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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