Hi
To see folding events in your (very) long peptide in explicit solvent,
without doing long MD ( 100 ns), you will need to use more complex MD
approach such as REMD or metadynamics. REMD is implemented in gromacs, but
for the latter one, you can use plumed with GROMACS.
See for example
On 7/9/12 12:02 AM, bharat gupta wrote:
Hi,
I have been trying to study folding of a peptide 24 residues long. I
did a simulation of 50 ns with explicit solvent, CHARMM FF, but I
was not able to find even a single folding event. Then I decided use
explicit solvent for simulation and I
Hi,
I have been trying to study folding of a peptide 24 residues long. I
did a simulation of 50 ns with explicit solvent, CHARMM FF, but I
was not able to find even a single folding event. Then I decided use
explicit solvent for simulation and I again simulated the peptide for
100 ns . This
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