February 15, 2005

As of today,

the developmental version is c32a2 and
the distribution version is c31b2.


c32a2.tar.gz and c31b2.tar.gz are placed in /h/chmgr on Harvard
machines. Old versions are kept in /r/chmgr/AGO for your reference.
Let me know if you have no access to those files. [* See the note below.]

c32a2 is built on c32a1 with the following.

1. Developments at University of Maryland
- Rotational, Translational and Vibrational Entropy
- ESP Charge Fitting and Drude Polarizability Determination
- Flexible Format for Printing Vibrational Frequencies
- Numerical Vibrational Analysis with SCF Drudes
- MOLVIB Analysis with Drudes
- COOR MAXDIST
2. TSRI Developments
- AFM Reset
- Clean-Up
- GBMV Bugfix
- Huge Version
- Makefile Update
- Testcase Fixes
- Timing Fixes
3. Developments at the National Institute of Health
- Molecular Modeling with Map Objects
- IPS Enhancement for 2D Homogenous Systems
- SGLD Improvements
- Replica Path and Off-Path Simulation Enhancements
- QM/MM Improvements
- Free Energy Perturbation Bug Fixes
- Added QM/MM Free Energy Pertubation (with Q-Chem)
4. Developments at NIC-Slovenia
5. Developments at Cornell University
- WCA Separation of LJ potential
- Code Cleanup and Bug Fixes in TPCONTROL and DYNA VV2
6. Karolinska Institute Fixes and Enhancements
7. Multiple and Moving Point NOEs
8. SASA Enhancements and Bugfixes

30b2 is built on c30b1 with the following.

1 TSRI Developments
- AFM Reset
- Clean-Up
- GBMV Bugfix
- Huge Version
- Makefile Update
- Testcase Fixes
- Timing Fixes
- NEWRNG Code Removed
2. Developments at the National Institute of Health
- SGLD Bugfix
3. SASA Enhancements and Bugfixes
4. Karolinska Institute Fixes and Enhancements

THE NEXT CHECK-IN IS DUE BY June 30, 2005. All new developments
and substantial enhancements must be based on the c32a2 code.
Only bugfixes will be applied to c31b versions.

Check-in requires (1) Modified source, (2) Project description form
(for the release note), (3) Documentation update and (4) Testcase
update.