[AMBER] Generating a solvent Box from organic solvent

From: Mark Zottola <mzottola.gmail.com>
Date: Mon, 12 Nov 2012 19:48:24 -0500

I am trying to build a solvent box of acetic acid. I am going through the
tutorial on making a non-standard residue to make an AMBER-friendly model
of acetic acid. So far so good. But I have not seen anything in the mail
reflector archive concerning the construction of a solvent box with
anything but water. For the purposes of my project, adding some organic
molecules to a water box (as is in a tutorial) will not be sufficient.

Is there a published report concerning this process in the literature (a
google search did not provide any leads), or is there a tutorial I missed?
 Any pointers to literature or other accessible instructions would be
greatly appreciated.


AMBER mailing list
Received on Mon Nov 12 2012 - 17:00:02 PST
Custom Search