Too many iterations in routine jacobi.

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Fri Jul 21 2017 - 12:06:45 CDT

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Hello:
While running a FEP simulation, RATTLE ts=2.0fs, error at initial stages:

colvars: Too many iterations in routine jacobi.
> colvars: No such file or directory
> FATAL ERROR: Error in the collective variables module: No such file or
> directory
>

In contrast, no errors with "rigid bonds water" ts=1.0fs, hence I do not
understand which mismatch is alluded to.

Thanks
for advice

francesco pietra

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