[gmx-users] acetonitrile

Anthony Cruz acb15885 at uprm.edu
Mon Mar 7 11:43:40 CET 2005

Hi gmx-users:

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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