Dear all,
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.
regards,
Arie
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