Steve Plimpton 3039d10742 new key files for water box example

2022-04-08 15:00:54 -06:00

..

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_box.key

new key files for water box example

2022-04-08 15:00:54 -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

bitorsion.ubiquitin.data

reading of bitorsion data file

2022-03-14 18:08:14 -06:00

data.ubiquitin

bug fixes

2022-03-15 09:35:42 -06:00

data.water_box.amoeba

recreate data files for water examples

2022-03-31 15:17:08 -06:00

data.water_box.hippo

recreate data files for water examples

2022-03-31 15:17:08 -06:00

data.water_dimer.amoeba

recreate data files for water examples

2022-03-31 15:17:08 -06:00

data.water_dimer.hippo

recreate data files for water examples

2022-03-31 15:17:08 -06:00

data.water_hexamer.amoeba

recreate data files for water examples

2022-03-31 15:17:08 -06:00

data.water_hexamer.hippo

recreate data files for water examples

2022-03-31 15:17:08 -06:00

hippo_water_box.key

new key files for water box example

2022-04-08 15:00:54 -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

add option for dynamics to in.ubiquitin

2022-03-30 17:15:18 -06:00

in.water_box.amoeba

new key files for water box example

2022-04-08 15:00:54 -06:00

in.water_box.hippo

new key files for water box example

2022-04-08 15:00:54 -06:00

in.water_dimer.amoeba

recreate data files for water examples

2022-03-31 15:17:08 -06:00

in.water_dimer.hippo

recreate data files for water examples

2022-03-31 15:17:08 -06:00

in.water_hexamer.amoeba

recreate data files for water examples

2022-03-31 15:17:08 -06:00

in.water_hexamer.hippo

recreate data files for water examples

2022-03-31 15:17:08 -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