AMBER Archive (2008)

Subject: AMBER: Charge scheme for simulating protonated adenine

From: prateeksha s (prateeksha.s_at_gmail.com)
Date: Fri Mar 21 2008 - 01:58:19 CDT

Hi,

I want to simulate protonated adenine. So which charge scheme one should use
for that?

Also, I'm having troubles with xleap displaying the protonated adenine. The
un-protonated adenine displays fine. But, the Hs in protonated adenine are
not getting recognized.

Please give your inputs.

Thanks and cheers,
Prateeksha

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