Dear Colleague,

A number of bugs have been found in the Dissipative Particle Dynamics (DPD) code 
of DL_MESO 2.5, and several minor improvements have been suggested for the 
Lattice Boltzmann Equation (LBE) code and User Manual. We would also like to 
draw your attention to a relevant training workshop.

The bugs found in the DPD code are as follows:

1. Information on dihedrals specified in the FIELD file is not reported 
   correctly in the OUTPUT file.
2. Incorrect forces are calculated for harmonic cosine dihedrals.
3. The initialization of a new system from scratch may fail for very large 
   numbers of beads due to a memory-intensive method of randomly assigning 
   species to unbonded beads.

Many thanks are due to Thomas Rodgers (Durham University) and Sebastian Metz 
(STFC Daresbury Laboratory) for bringing these issues to our attention.

In addition to fixes for the bugs listed above, a number of changes have been 
made to some of the C++ codes in the package - particularly the LBE code and the 
DPD utilities input-convert.cpp and molecule-generate.cpp - to remove inclusions 
of incorrect and extraneous headers, thus making compilation of these codes 
easier and less error-prone. Many thanks are due to Mohammed Shamsuz Zaman 
(Dalhousie University) for drawing our attention to this issue.

Rveisions have also been made to the DL_MESO User Manual to clarify the theory 
behind LBE and correct the information about the LBE code.

All of the above revisions have been made to the downloadable version of the 
package: this can now be downloaded and decrypted using the same procedure 
outlined in the original instructions emailed to registered users. Re-
registration is not necessary if you are a current DL_MESO version 2.5 user.

A training workshop on DL_POLY, DL_FIELD and DL_MESO will be held in Sofia, 
Bulgaria on 25th and 26th September 2012 as part of the PRACE Autumn School on 
Massively Parallel Architectures and Molecular Simulations (24-28 September 
2012). This workshop will give current and potential users an overview of the 
scientific capabilities and performance of these codes and the opportunity to 
try out the codes from themselves and interact with their authors. To find out 
more about the PRACE Autumn School and to register, please visit either 
www.prace-project.eu/PRACE-Autumn-School-2012 or follow the links for Training 
Workshops from www.ccp5.ac.uk/DL_MESO

Michael Seaton
2012-07-12