. 2022 Jun 14;18(7):4490–4502. doi: 10.1021/acs.jctc.2c00200

Table 2. Performance of MD Simulations Including gHBfix Terms^a.

system	software	no gHBfix	gHBfix19	gHBfix_opt
CAAU (REST2)	AMBER18	712 ns/day	682 ns/day	682 ns/day
gcUUCGgc (ST-MetaD)	GROMACS + PLUMED	358 ns/day	355 ns/day	325 ns/day

AMBER18 simulations were performed using a single core of an Intel(R) Xeon(R) E5-2620 2.10 GHz processor and a NVidia GeForce RTX 2080 Ti card per replica. GROMACS + PLUMED simulations were performed using 8 cores of an Intel(R) Xeon(R) Gold 6130 2.10 GHz processor and a NVidia GeForce GTX1080ti card per replica.

Table 2. Performance of MD Simulations Including gHBfix Termsa.

Table 2. Performance of MD Simulations Including gHBfix Terms^a.