Huey Ling Tan wrote:
Dear gromacs users,
I am simulating 2 identical peptide chains in a simulation box with
water as solvent. To find the the equilibration, I wanted to calculate
the energy of the peptide chains, separately, and then compare between
them.
To do that, I changed the en
Dear gromacs users,
I am simulating 2 identical peptide chains in a simulation box with water
as solvent. To find the the equilibration, I wanted to calculate the energy
of the peptide chains, separately, and then compare between them.
To do that, I changed the energygrps and tc-grps in my
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