Should this not be part of the &debug namelist?
And do we not already have a similar facility for this? - This should
probably get merged with what is currently in the debug routines.
> -----Original Message-----
> From: git repository hosting [mailto:gitosis.amber.sdsc.edu]
> Sent: Wednesday, June 13, 2012 6:32 PM
> To: cvs-notification.ambermd.org
> Subject: [GIT] git repository for AMBER: AWG: implement force dumping
>
>
> The project "git repository for AMBER":
>
> The branch, adqmmm-dev has been updated
> via 47620003b6e84dd2de14525e198d4b3978542a52 (commit)
> from 9468232c0b4ea126f64d5d805ba33c37e81f1e7f (commit)
>
>
> - Log -----------------------------------------------------------------
> commit 47620003b6e84dd2de14525e198d4b3978542a52
> Author: Andreas Goetz <agoetz.sdsc.edu>
> Date: Wed Jun 13 18:31:18 2012 -0700
>
> AWG: implement force dumping
>
> use with
> &cntrl
> ...
> ntwf = n
> /
> to print forces to mdfor every nsteps. To change the filename use
> $> sander -fo mdfor
>
> -----------------------------------------------------------------------
>
> Summary of changes:
> src/sander/bintraj.F90 | 37 +++++++++++++++++++++++++++++--------
> src/sander/dynlib.F90 | 5 +++++
> src/sander/files.h | 9 +++++----
> src/sander/mdfil.F90 | 8 +++++++-
> src/sander/mdread.F90 | 11 ++++++++---
> src/sander/runmd.F90 | 8 +++++++-
> 6 files changed, 61 insertions(+), 17 deletions(-)
>
> --
> git repository for AMBER
>
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Received on Thu Jun 14 2012 - 05:00:02 PDT
