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Backmapping after Martini3
- shaukat_i
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6 months 2 weeks ago #9694
by shaukat_i
Backmapping after Martini3 was created by shaukat_i
I have simulated (MARTINI3 + Go-potential) a soluble protein containing both alpha helices and a sandwiched beta sheet (central region made of beta sheets and alpha helices on the periphery).
After simulating for 10 microseconds, I have a final frame, which I need to backup to atomistic. I followed this tutorial cgmartini.nl/index.php/2021-martini-onli...rials/566-4-backward and have obtained an all-atom structure.
But, what I observe is that the central beta sheet has not been backmapped properly- it remains as a disordered region as observed in VMD/ chimera/ PyMol.
Could anyone please suggest what is the reason? DO I need to fine-tune any other parameter while I perform backmapping?
After simulating for 10 microseconds, I have a final frame, which I need to backup to atomistic. I followed this tutorial cgmartini.nl/index.php/2021-martini-onli...rials/566-4-backward and have obtained an all-atom structure.
But, what I observe is that the central beta sheet has not been backmapped properly- it remains as a disordered region as observed in VMD/ chimera/ PyMol.
Could anyone please suggest what is the reason? DO I need to fine-tune any other parameter while I perform backmapping?
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