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locsmith / xcamshift

xcamshift - a port of the camshift chemical shift force-field for xplor-nih
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warnings for missing atoms #67

Closed theokara closed 9 years ago

theokara commented 9 years ago

warnings for missing atoms expected by the force-field are repeated multiple times and don't provide a clear explanation of why they occur

NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1
NOTICE: couldn't find the atom MOUS:13@HD1