[gmx-users] genbox using TIP3P?
Mark.Abraham at anu.edu.au
Sat Feb 3 02:00:54 CET 2007
WILLIAM R WELCH wrote:
> 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"
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