Protein/Ligand complex amber production question

GROMACS version: 2020.4
GROMACS modification: No, except for ligand definition.

I’m trying to run MD simulation of a protein/ligand complex using amber99sb or amber14sb FF.
I’ve followed Justin Lemkul’s tutorial (many thanks) adjusting it to amber, but I do have a question about the production md.mdp file.

Is this md.mdp file from the tutorial OK for amber FF or in contrary specific for the CHARMM36 ff (used in the tutorial) ?

I’ve noticed this in the md.mdp file :
; Dispersion correction is not used for proteins with the C36 additive FF
DispCorr = no

Should I use" DispCorr = EnerPres" for amber FF or any other entry ?

Is there any other parameter in the md.mdp file that I should modify to best fit for amber FF ?

Many thanks for your feedback

Take care
Xavier

Hi,
I suggest those setting for AMBER force fields

constraints = h-bonds ; bonds involving H are constrained
rcoulomb = 1.0 ; short-range electrostatic cutoff (in nm)
rvdw = 1.0 ; short-range van der Waals cutoff (in nm)
vdw-modifier = Potential-shift-Verlet ; Amber specific
DispCorr = EnerPres ; account for cut-off vdW scheme
coulombtype = PME ; Particle Mesh Ewald for long-range electrostatics
fourierspacing = 0.125 ; grid spacing for FFT

best regards
Alessandra

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Hi,
Many thanks Alessandra for your advices
Regards
Xavier