[AMBER] loading molecule in leap

From: jacob wick <jacobwick.la.gmail.com>
Date: Wed, 27 May 2015 16:53:46 +0530

Hi all,

I want to study Lipoteichoic acid using AMBER.

Please tell me how to prepare an amber compatible pdb file ( so that I can
add partial charges to the molecule).

I have drawn this big molecule using marvin sketch but now I am confused
how to add partial charges to such a big system and how to load the
molecule in leap.

Please suggest!


structure of Lipoteichoic acid:

[image: Inline image 1]
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Received on Wed May 27 2015 - 04:30:02 PDT
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