acb15885 at uprm.edu
Mon Mar 7 11:43:40 CET 2005
I try to simulate a protein in non aqueous solvents. I see various
contributions of organic molecules in the gromacs topology section. I start
to using the acetonitrile model but few days ago I found someting in the
mailing list about this acetonitrile and I am not clear if the model is good
or need to be corrected in some way. I will appreciate your help.
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