AMBER Archive (2008)

Subject: AMBER: how to add new solvent type in Amber

From: iccy liu (hbliu92_at_hotmail.com)
Date: Mon Dec 08 2008 - 18:23:11 CST

Dear all,

I am new to Amber. I have a question about adding a new solvent type in Amber. I did search the manual and tutorials and couldn't find the procedure to do it. Can anyone help me? Since my solvent is a new type of molecule, I followed the tutorial 4 and build a single molecule pdb, then using antechamber to generate single solvent molecule *.prepin and *.frcmod file. What is next step should I do? I would like to build a solvent box and loaded it later. what kind of files is needed and how to load the new type solvent box? Any input will be high appreciated. Thanks a lot!

Iccy Liu

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