Are there any already been trained and generally accepted force field parameters used directly in GROMACS 2023? #4623
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wangshuai-simulation
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whether can i use pre-trained force field parameters directly to run MD simulations (GROMACS 2023 software)? My system of MD simulation is composed of water, NaCl, and some kinds of nanomaterial (maybe graphene and modified graphene). And currently i do not want to train the force field parameters by myself but want to use the parameters that are trained by previous studies and generally accepted. I am not sure if i can use DPA-1 model (a Pretraining of attention-based deep learning potential model) directly to run MD simulation? Appreciate if anyone can help me.
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