From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Sat Apr 02 2011 - 02:34:02 CDT
Hi Leonardo,
Your NAMD binary seems to be compiled with the COLVARS_DEBUG option,
which poduces very verbose output.
Jerome
On 2 April 2011 00:06, Leonardo Herrera <ldhz04_at_yahoo.com.mx> wrote:
> Hi namd user's
> In my output I found a lot of information (see down), the colvars module write step by step. Anybody knows how can I write every 10000 steps or the command to do this? and if it should be in colvarconfig file or the main config file?
>
> ..
> colvars: Collective variables module, step no. 2001
> colvars: Calculating collective variables.
> colvars: Calculating colvar "cuA1".
> ...
> ...
> ...
> colvars: ----------------------------------------------------------------------
> colvars: colvarproxy_namd, step no. 2001
> colvars: Updating internal data.
> colvars: Found a force applied to atom 7508: ( -65.5284 , -154.291 , -195.929 ); current total is ( 0 , 0 , 0 ).
> colvars: Found a force applied to atom 7508: ( -104.604 , 195.469 , -130.821 ); current total is ( -65.5284 , -154.291 , -195.929 ).
> colvars: Found a force applied to atom 7508: ( -161.733 , -146.967 , 133.691 ); current total is ( -170.132 , 41.1777 , -326.75 ).
> colvars: Found a force applied to atom 7508: ( 84.7221 , 30.3896 , 60.1819 ); current total is ( -331.866 , -105.789 , -193.059 ).
> colvars: Found a force applied to atom 7508: ( 80.7885 , -12.5684 , -18.1404 ); current total is ( -247.144 , -75.3992 , -132.87
> ....
> ....
> ....
>
> thanks in advance.
>
> MenB Leonardo David Herrera Zúñiga POSGRADO EN QUÍMICA UAMI Biofisicoquímica Universidad Autonoma Metropolitana IztapalapaTel. +52 (55) 5804 4674 ldhz04_at_yahoo.com.mx
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