From: Peter Freddolino (
Date: Sat Dec 09 2006 - 12:40:48 CST

Hi Nicholas,
as far as I know this cannot be set on the fly, but you can change it by
altering the format in the floating point version of the overloaded
function FORMAT to change it from 14.4f to 14.6f and then recompiling.

Nicolas SAPAY wrote:
> Hello,
> I'm testing an implementation of the CHARMM force field in Gromacs. For
> the moment, all energies seem to be OK. However NAMD gives energy values
> with 4 decimals. Is it possible to print these values with 6, 8 or 10
> decimals? I want to have a precise idea of the accuracy of this
> implementation.
> Additionaly, I'm looking for the electrostatic-to-energy conversion factor
> use in NAMD. Can someone tell me if it is indeed 332.07160 kcal.A/mol.e?
> Thanks!
> Nicolas

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