Re: [AMBER] Targeted MD shows blank output file!

From: Jason Swails <>
Date: Wed, 4 Mar 2015 08:12:47 -0500

> On Mar 4, 2015, at 8:05 AM, Pallavi Mohanty <> wrote:
> Thanks Carlos and Jason for your prompt relies!
> Do you mean to say that i need to change below mentioned part marked in red
> to get the desired output?

You are asking targeted MD to make an *enormous* change. I have no idea how long it will take to fold a structure like this. I would suggest looking at previous studies to see what has worked in the past, and then appropriately scale it up to your problem. Even then, there is no guarantee it will work.

Also, nothing showed up as ‘red’ in my email client. Not all email clients respect HTML markup (and some display it horribly). I would suggest using some other approach to indicate where you changed values.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Wed Mar 04 2015 - 05:30:05 PST
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