Re: [AMBER] Error in umbrella sampling

From: David A Case <>
Date: Mon, 17 Sep 2018 18:10:20 +0100

On Mon, Sep 17, 2018, Saikat Pal wrote:

> When I have performed umbrella sampling using center of mass in cpu
> using  following script  :


> It works fine.But its not working in gpu.

Can you say what the error is? (That's often quite informative, and
might relieve people on the list from having to try to reproduce the
problem, given only a small piece of the mdin file.)

> It works fine in gpu but not working in cpu.

Same question as above.


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Received on Mon Sep 17 2018 - 10:30:02 PDT
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