AMBER Archive (2004)

Subject: AMBER: DMF box

Date: Wed Jan 14 2004 - 10:42:02 CST

Hi all,
 I have used the sander module of amber 7 to simulate an enzyme in whater, and now I would like to
perform an analogous simulation in DMF, the solvent used in organic reactions cathalyzed by subtilisin. A
DMF box is not present in leap (only N-methyl acetamide is present), and I wonder how to create a DMF
box for simulations.
                                                    Thank you in advence

                                                                              Stefano Pieraccini

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