On Wed, Jun 29, 2016, Lea Natalia Toledo Carvajal wrote:
> > Unknown keyword: Omu2-Cu+2- in parameter file. Perhaps a format error?
> Exactly, this format error is in relation with the "space" between the
> second and third atom that define the angle. In the attached file
> mix.frcmod.txt , a later version (sorry by the extensión .txt, gmail
> had troubles with the .frcmod), this was apparently solved (checking
> the leap.log.txt, attached), but the parameters still are
> unrecognisable for tleap.
Your mix.frcmod file still has extra spaces in the final two angle
definitions. What happens if you remove these?
...dac
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Received on Thu Jun 30 2016 - 06:00:03 PDT
