Hello, I am preparing to simulate the polymer in a water solution using the
Martini force field.
In the simulation model, I want to set a specific tabular potential between
water beads. And other beads still follow the martini force field.
In gromacs, when one wants to use tabular potential, some lines should be
added in .mdp file:
vdwtype = User
rvdw = 1.0
energygrps = POL (the name of type of water bead)
energygrp_table = POL POL
the mdrun command will read the table_POL_POL.xvg
But, I want mdrun to read the force field of other beads from the martini
.itp file.
Is it possible for me to do this in gromacs?
Looking forward to and thank you for your answer
Sincerely yours
Ran
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