-
Notifications
You must be signed in to change notification settings - Fork 12
Open
Description
These systems suffered from improper atom-to-element assignment. The FF data for them is not trustworthy.
System(151): 102/dfa/102dfa390326acd775347b1d703ccfa85e033cd8/1ad80d5d253e861f01d8f16e0d1590c6ef962916
gromacs
Berger
System(257): 18c/55d/18c55dbc1844f880a0b8738ac30b0837a39cc03e/18c55dbc1844f880a0b8738ac30b0837a39cc03e
openMM
Charmm-Drude polarizable; system has been equilibriated using Charmm36
System(731): 208/241/208241f86895519f5cc67cbea2131b7b265b6ec3/208241f86895519f5cc67cbea2131b7b265b6ec3
openMM
Charmm-Drude
System(733): 2c6/ae5/2c6ae54d8ce9652f529cd674727a0602d06c8990/2c6ae54d8ce9652f529cd674727a0602d06c8990
openMM
Charmm-Drude polarizable; system has been equilibriated using Charmm36
System(743): 3da/77f/3da77f2fd11552f0b871d5b83133838d3251aa5a/3da77f2fd11552f0b871d5b83133838d3251aa5a
openMM
Charmm-Drude
System(738): 4f7/da7/4f7da716a581be4f931d2e9a2890872bec19c66a/4f7da716a581be4f931d2e9a2890872bec19c66a
openMM
Charmm-Drude polarizable; system has been equilibriated using Charmm36
System(765): 68d/39e/68d39e96aca23aeaa4ea2567e0e0cb8b8903a694/68d39e96aca23aeaa4ea2567e0e0cb8b8903a694
NAMD
Charmm36
System(744): 77e/38d/77e38d061e430bacd93ad084965c5befa5a58d8f/77e38d061e430bacd93ad084965c5befa5a58d8f
openMM
Charmm-Drude polarizable; system has been equilibriated using Charmm36
System(736): 861/c33/861c3389e16a8b84c2c581eea947b392d6a9da6a/861c3389e16a8b84c2c581eea947b392d6a9da6a
openMM
Charmm-Drude polarizable; system has been equilibriated using Charmm36
System(774): bf8/3a4/bf83a4c610244ec998461b093c395309dc91837e/bf83a4c610244ec998461b093c395309dc91837e
NAMD
CHARMM36m
System(745): cf8/595/cf8595ddf06ded7c0ebc34647c1998fe50c09ca8/cf8595ddf06ded7c0ebc34647c1998fe50c09ca8
openMM
Charmm-Drude polarizable; system has been equilibriated using Charmm36
System(732): d33/115/d3311502915a88e4d83d8099564172d4d8c11b55/d3311502915a88e4d83d8099564172d4d8c11b55
openMM
Charmm-Drude polarizable; system has been equilibriated using Charmm36
System(737): e2d/cc5/e2dcc539d664d8edde594ce7b994eba35c3e202c/e2dcc539d664d8edde594ce7b994eba35c3e202c
openMM
Charmm-Drude polarizable; system has been equilibriated using Charmm36
Reactions are currently unavailable