Re: [AMBER] regarding simulation

From: David A Case <>
Date: Tue, 2 Apr 2019 08:20:38 -0400

On Tue, Apr 02, 2019, Charu Sharma (JRF) wrote:

>I want to ask if I
>* do simulation of poly AT in which minimization rate will be (500 ps) and
>MD simulation run for 1 ns. Then is their possibility of getting RMSD plot
>.I am getting ewald error and also error in my output file . *

(1) I'm unclear about what you mean by the term "minimization rate".

(2) You should always be able to get an RMSD plot. Of course, you
probably will not have reached convergence after just 1 ns.

(3) Re "ewald error" "also [other?] error": we would need to have more
information to be of any help.


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Received on Tue Apr 02 2019 - 05:30:02 PDT
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