> Speaking of... When I first started putting the info into our parm
> file, I tried adding it just to the first comment in a multi-term
> dihedral. But, that didn't work. So, I added it to them all, and it
> worked. It hadn't occurred to me to use just the last entry. This
> needs to be documented... Is it the last entry?
See the sleap code - that will be the 'documentation'.
> Also, it has come to our attention that there are occasional, subtle
> discrepancies between file specs and actual implementation. We've been
> haphazardly compiling a list. At some point in the future, I intend to
> offer to make the docs and the files match each other.
I will buy you a drink for doing this! :-)
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Received on Wed Apr 06 2011 - 11:00:04 PDT
