[AMBER] Align two ligands

From: Yubo Fan <yubofan.mail.chem.tamu.edu>
Date: Fri, 09 Jul 2010 12:43:10 -0500


Is there any way to align two small molecules, say two phosphate,
using Leap, Ptraj or vmd? I am going to simulate some proteins with
different ligands bound. How can I add the ligands with appropriate

Thanks a lot,

Yubo Fan
Computational Chemistry and Drug Design Lab
Bioengineering and Bioinformatics Program
The Methodist Hospital Research Institute (TMHRI)
6565 Fannin St B5-022
Houston, TX 77030
Email: yfan.tmhs.org
Phone: (713) 441-8681

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Received on Fri Jul 09 2010 - 11:00:05 PDT
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