Water coordinates for TIP4P-D water model

User discussions
1

GROMACS version: 2020.3
GROMACS modification: Yes/No
Hi,
I am simulating protein-protein complex with a small molecule ligand (Acetyl CoA).
I am using DES-Amber-SF1.0.ff. The water model suggested for
this force field is TIP4P-D.
Where do I get coordinate fiel (.gro) file for this water model
to use while solvating the system.
And also some tips on simulating protein-protein complexes.

Thank you,
Venkat

2

Hi,

I guess that TIP4P-D is a four-site model. You can use tip4p.gro as coordinate file for gmx solvate.

Best regards
Alessandra