Am Donnerstag, den 06.11.2008, 09:58 +0530 schrieb Bhawana Gupta:
well, maybe as a first step, you should choose a more informative error
description as "problem" as subject. :-)
> i m sending this mail regarding the problem which i get after using
> grompp command for em.mdp
> ERROR is [file boc2_md_water_em.mdp, line unknown]:
> Right hand side 'le-5' for parameter 'ewald_rtol' in parameter file
> is
> not a real value
The value you've specified can not be read in. There is a lowercase L
instead of 1, at least in your post. l != 1
Best
Martin
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