Dear all,
 I have some questions about the MD.Quench. When I do the molecular danamics, i 
used the MD.TypeofRun ParrinelloRahman.When i add the MD.Quench    .ture. an 
error is appear " FDF_BOOLEAN: Unexpected fdf logical value MD.Quench = .ture.  
" i do not understand , the User's Guide says the MD.Quench can use when the 
MD.TypeofRun is ParrinelloRahman.

Responder a