Re: [AMBER] Wanting to get synchronized trajectory files

From: David Case <>
Date: Wed, 22 Jan 2020 13:09:18 +0000

On Wed, Jan 22, 2020, Abdullah Bin Faheem wrote:
>Is it possible to get the same output trajectory file if I use the same
>topology and restart file?
>Meaning if I run two MD runs in parallel, can I get the same xyz (or
>atleast very close) coordinates being written in the output coordinate
>file if I use the same restart and topology file? This is the input file
>I used initially (I am currently using AMBER 12):

What happenes when you tryrunning (say) two 100-step simulations?
Don't be afraid to experiment. Be sure to set ig (I'm not sure what the
default value for that was way back in 2010.)


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Received on Wed Jan 22 2020 - 05:30:11 PST
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