[AMBER] Simulation of ssDNA folding

From: Jiaan Zhu via AMBER <amber.ambermd.org>
Date: Sun, 30 Oct 2022 14:54:12 +0000

Dear Amber users,

I’m trying to simulate a self-complementary oligonucleotide (5 -CTTATGGGCCCATAAG-3 ) by bsc1+TIP3P in 100nM NaCl, for 500ns. However, I didn’t observe any secondary structures in the trajectory. I’m wondering if there's anything wrong in my production run settings and how do I fix it. The md.in file is attached.

Thanks a lot!

Best regards,
Jiaan


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Received on Sun Oct 30 2022 - 08:00:02 PDT
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