[gmx-users] (no subject)

Chalaoux, Francois-Regis Francois-Regis.Chalaoux at evotec.com
Sat May 14 12:21:28 CEST 2016


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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