[gmx-users] Re: Trajectory visualization

[Mark Abraham]

On 15/04/2011 3:08 PM, bharat gupta wrote:
> Reduicng no. of frames means breaking the simulation into smaller 
> frames ... will it affect the result ??

You can use trjconv -dt to reduce the number of frames per unit time, 
not just chopping into segments. Whether it affects your result is 
something only you can answer, because only you know what you are trying 
to do.

Mark

>
> On Thu, Apr 14, 2011 at 10:06 PM, Mark Abraham 
> <Mark.Abraham at anu.edu.au <mailto:Mark.Abraham at anu.edu.au>> wrote:
>
>     On 15/04/2011 2:49 PM, bharat gupta wrote:
>
>         Hi,
>
>         I have done a simulation of 10ns but while viewing the
>         trajectory in VMD I am getting some problems. After loading
>         the .gro and .xtc file VMD stops working .. I used trjconv to
>         compress the file but VMD doesnot read frames from tat file...
>         How can I visualize the trajectories??
>
>
>     How do you mean "does not read frames from that file"? Can you
>     read an .xtc of one frame?
>
>     Maybe VMD is running out of memory. Use trjconv to reduce the
>     number of frames and try again.
>
>     Mark
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> -- 
> Bharat
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