[gmx-users] (no subject)

[Anton Feenstra]

prakash sista wrote:
> 
> Hi all,
> I am doing the simulation of a certain peptide. First I had done
> the
> simulation for a time scale of 5ns. I then extended it by another
> 5ns
> using tpbconv. Then I concatenated both the files by using trjcat.
> Till
> here everything is fine. But when I try to use the catenated file,
> I get an error saying file not found. I tried out all the options
> in trjconv but in vain.
> 
> Then, while catenating I wrote the output file in .xtc format.
> Everything went fine and there is no error this time.
> 
> I could conclude that if the size of the output file is large,
> trjcat is not able to catenate the two files properly. The output
> trr file in this case was more than 1 GB. where as the .xtc file
> is around 700 MB.
> 
> Is my conclusion correct? Please explain.

You cannot always use files larger than 2GB. Depends on your system
(hardware, OS/version etc.).


-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
| |----  | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands   |
| |----  | Tel: +31 20 44 47608 - Fax: +31 20 44 47610               |
| ' __   | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
|  /  \  |-----------------------------------------------------------|
| (    ) | Dept. of Biophysical Chemistry - University of Groningen  |
|  \__/  | Nijenborgh 4 - 9747 AG Groningen - The Netherlands        |
|   __   | Tel +31 50 363 4327 - Fax +31 50 363 4800                 |
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| (    ) |-----------------------------------------------------------|
|  \__/  | "All Work and No Play Makes Jack a Dull Boy" (The Shining)|
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