TEXAS CENTER FOR ADVANCED MOLECULAR COMPUTATION ( TCAMC )

1997 Progress report for the NSF GCAG

Parallel Algorithms Developed

• The JSOR Algorithm
• The PSOR Algorithm
• The PMG U-cycle Algorithm

Parallel Languages Developed

• Pfortran
• PC
• PC++

Parallel Codes Developed

• The GROMOS codes
• The ESP code
• The UHBD code
• Some new codes being developed

Applications Projects

• AChE and Myoglobin
• Lac repressor/chimer and Salt effects on peptides
• Duplex and triplex DNA
• Tetrad formation

Interactions between the application domain and Computer Science and Mathematics

• Interaction facilitatators
• Influences of C S and Math on the application domain
• Influences of applications on C S
• Influences of applications on Math

Technology Transfer