[DFTB-Plus-User] Switch from brackets to quotations
Fuhrer, Timothy
tfuhrer at RADFORD.EDU
Tue Jun 7 21:21:50 CEST 2016
I have been trying to run a molecular dynamics simulation using the latest release of DFTB+ for Linux. I have used some available online scripts as templates for the input and have used suggested scripts from other users via my previous thread on this server. However, each time I use a script with the enclosures { }, I am asked by an error message to switch from { } to ‘ ‘ notation. However, when I try to run it that way, I receive error messages that imply that the program is unable to tell which ‘ is the open and which is the close for any set of enclosed parameters where one enclosure is inside of another. Has anyone out there had any experience with converting from { } parenthetical expressions to ‘ ‘ and know what I might be missing?
Thanks so much,
~Tim Fuhrer
Radford University
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20160607/9f52f9e5/attachment.htm>
More information about the DFTB-Plus-User
mailing list