[AMBER] problem of using leap

From: fancy2012 <fancy2012.yeah.net>
Date: Wed, 13 Apr 2011 10:46:47 +0800 (CST)

Dear amber users,
 
Yesterday, when I prepared its prmtop and inpcrd files in tleap, two nitrogen atoms were protonated and the double bonds rearranged. So how should I avoid this protonation and rearrangement of double bond? Thanks very much!

All the best,
Qinghua
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Received on Tue Apr 12 2011 - 20:00:02 PDT
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