GROMACS version:2023
GROMACS modification: Yes/No
Here post your question
Hi.
I am new to using the Gromacs and would be grateful if you could help me.
I want to have 2 molecules (molecules A and B) in a box of water.
I tried to use the ligpargen server for each molecule separately but it gave me something like the below:
molecule A:
opls_802 C802 12.0110 0.000 A 3.50000E-01 2.76144E-01
molecule B:
opls_802 O802 15.9990 0.000 A 2.96000E-01 8.78640E-01
One atom type (opls_802) for two different atoms!
Probably there is one other way to have two different molecules in one system that I do not know!
I would be grateful if you could help me.