AMBER Archive (2009)

Subject: [AMBER] explicit ion with igb=1

From: Bala subramanian (bala.biophysics_at_gmail.com)
Date: Thu Apr 02 2009 - 08:39:10 CDT

Hello,

I want to simulate a DNA molecule (1kf1) with implicit solvation (igb=1).
This molecule has few ions inherently present in the experimental structure.
Can these ions be treated explicitly in such simulations. Is it correct to
do it ?

Thanks,
Bala
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