While the born program you describe does provide some functionality, it’s probably not the best choice due to performance and robustness issues. I would recommend looking at one of the molecular mechanics packages (GROMACS, AMBER, CHARMM, TINKER) for this type of functionality.
Pacific Northwest National Laboratory
From: nahren [mailto:mailnahren@...]
Sent: Friday, February 10, 2012 3:06 AM
Subject: [apbs-users] GBSA using PQR
Dear APBS Users,
I am planning to calculate GB along with PB. Is born program available under ~.../tools/manip/born a ideal program to fit this role, Is there any other tool I can use to calculate GB solvation energy. Any enlightenment on this subject will be very helpful.
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