Single or double precision?

From: mm148881 (
Date: Thu Jan 08 2009 - 13:09:21 CST

Hello,I am experimenting with NAMD 2.6 as installed at our computer center.
I can't find on the archives or on the tutorial files any information on the
precision used by namd 2.6 during forces calculations, fft's and coordinates
integrations. Is it single or double precision? I looked at the code quickly
and in most part it looks float (I might be totallyoff mark here!). I also
would like to know if it is possible to change precision (from single to
double or viceversa) during compilation.

Many Thanks beforehand

-- Massimo Marchi
| Equipe de Simulation Moléculaire |
| Commissariat ŕ l'Energie Atomique |
| Direction des Sciences du Vivant |
| Centre d'Etudes de Saclay |

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:52:13 CST