Hello all, Assuming that I made my own .itp file for amber99sb-compatible DMSO parameters (based on Thomas Fox and Peter A. Kollman. J. Phys. Chem. B., 1998, 102, 8070-8079) and included that in the .top file, how can I add DMSO to my system? Should I also make a .gro file in analogy to spc216.gro? But how?
Thanks for any suggestion, Yun
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