wibowo_arie at yahoo.com
Thu Dec 11 18:42:02 CET 2008
I want to simulate methane + water system. for methane, I just create .top file (I added #include "methane.itp") because when I run pdb2gmx, the calculation was stop because residue "" not found in residue topology database. but when I run grompp, the problem appeared because library file methane.itp is not found. does anyone know where I can get methane.itp or does anyone have suggestion to perform methane + water system?
thank you very much for your help.
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