Re: [AMBER] How to correct the H atom direction in the HIE residue?

From: 辛志宏 <xzhfood.njau.edu.cn>
Date: Sat, 14 Nov 2020 21:24:07 +0800 (GMT+08:00)

Thank you so much for all of your help and useful sugesstion,
The problem has been fixed according to Gustavo sugesstion,


pdb4amber -i EstYZ5-DMP.pdb -o EstYZ5-DMP_noH.pdb -y --dry


and then re-parmetered by tleap.


Thank you again.




Zhihong Xin




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Received on Sat Nov 14 2020 - 05:30:02 PST