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 wrote:
> Dear Gromacs users
> I p
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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