Andrew Voronkov wrote:
Dear GROMACS users,
we want to make a refinement of protein structure by distributed computing MD
calculations. For this we need to make random initial coordinates generation
for 100 of 100 ps trajectories. It is something like fold...@home strategy uses
for folding, but we want to get the trajectory with most significant changes in
the structure. Which procedure for random initial parameters generation for
such a task can you recommend?
There's no GROMACS mechanism for generating conformations in the absence
of an input conformation.
Mark
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