[gmx-users] difference in kinetic energy

[Mark Abraham]

Hi,

It's hard to say anything with so little information provided. Kinetic
energy fluctuates, so maybe your observations are insignificant. It also
depends on mass, so mutating trp to ala is going to be noticeable.

Mark

On Sun, 25 Jun 2017 00:26 Emran Heshmati <compbioph at gmail.com> wrote:

> Dear Gromacs users
> I performed alanine scaning mutagenesis using gromacs on a peptide fragment
> consisting 16 aa. In one of the mutations, the kinetic energy of the system
> was significantly different. How can I interpret this result? any comment
> is welcome
> regards
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