We are planning to buy a cluster of about 30 machines to simulate a very large system of Antibody in water (~500,000 atoms). Is it possible to simulate such a huge system using CHARMM ? What is the memory required to compile and work with the 'HUGE' version of CHARMM ? I compiled the HUGE version of CHARMM on a 32-bit linux cluster with 2GB RAM, but the executable immediately gave 'segmentation fault'. Is the RAM not enough ?
Also I would appreciate any input about simulating such a huge system. Thanks.