Steve Plimpton 1f456a447c add support for Urey-Bradley H-H bonds

2022-03-03 09:23:33 -07:00

..

amoeba_ubiquitin.key

initial version of AMOEBA/HIPPO force field files

2021-08-25 13:53:31 -06:00

amoeba_ubiquitin.prm

initial version of AMOEBA/HIPPO force field files

2021-08-25 13:53:31 -06:00

amoeba_water.key

initial version of AMOEBA/HIPPO force field files

2021-08-25 13:53:31 -06:00

amoeba_water.prm

initial version of AMOEBA/HIPPO force field files

2021-08-25 13:53:31 -06:00

data.ubiquitin

add support for Urey-Bradley H-H bonds

2022-03-03 09:23:33 -07:00

data.water_box.amoeba

fix example problems

2021-08-26 15:09:27 -06:00

data.water_box.hippo

fix example problems

2021-08-26 15:09:27 -06:00

data.water_dimer.amoeba

fix example problems

2021-08-26 15:09:27 -06:00

data.water_dimer.hippo

fix example problems

2021-08-26 15:09:27 -06:00

data.water_hexamer.amoeba

fix example problems

2021-08-26 15:09:27 -06:00

data.water_hexamer.hippo

fix example problems

2021-08-26 15:09:27 -06:00

hippo_water.key

initial version of AMOEBA/HIPPO force field files

2021-08-25 13:53:31 -06:00

hippo_water.prm

initial version of AMOEBA/HIPPO force field files

2021-08-25 13:53:31 -06:00

in.ubiquitin

tweak input test script

2021-12-20 11:50:11 -07:00

in.water_box.amoeba

add special_bonds command to water examples

2021-09-27 14:29:11 -06:00

in.water_box.hippo

add special_bonds command to water examples

2021-09-27 14:29:11 -06:00

in.water_dimer.amoeba

add special_bonds command to water examples

2021-09-27 14:29:11 -06:00

in.water_dimer.hippo

add special_bonds command to water examples

2021-09-27 14:29:11 -06:00

in.water_hexamer.amoeba

add special_bonds command to water examples

2021-09-27 14:29:11 -06:00

in.water_hexamer.hippo

add special_bonds command to water examples

2021-09-27 14:29:11 -06:00

ubiquitin.xyz

initial version of AMOEBA/HIPPO force field files

2021-08-25 13:53:31 -06:00

water_box.xyz

initial version of AMOEBA/HIPPO force field files

2021-08-25 13:53:31 -06:00

water_dimer.xyz

initial version of AMOEBA/HIPPO force field files

2021-08-25 13:53:31 -06:00

water_hexamer.xyz

initial version of AMOEBA/HIPPO force field files

2021-08-25 13:53:31 -06:00