WILLIAM R WELCH wrote:
Hello
I would like to use the TIP3P model in my calculation, and I would like to be
able to use genbox to solvate a pepetide, but there is no TIP3P.gro coordinate
file in the program. I there such a coordinate file available?
Any 3-point water model will be fine for generating solvent coordinates
- the standard practice in GROMACS is to solvate with spc216.gro (per
man genbox) and then in the .top file to #include "tip3p.itp"
Mark
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