cramg
commented
3 years ago GMXPBSA 2.1 release look for fixing some bugs and adding some features such as customizable file name, checking GMXPSA version and \deltaG CAS calculations on a single protein.
Open cramg opened 3 years ago
cramg
commented
3 years ago GMXPBSA 2.1 release look for fixing some bugs and adding some features such as customizable file name, checking GMXPSA version and \deltaG CAS calculations on a single protein.
Paissoni, C., D. Spiliotopoulos, G. Musco, and A. Spitaleri. “GMXPBSA 2.1: A GROMACS Tool to Perform MM/PBSA and Computational Alanine Scanning.” Computer Physics Communications 186 (2015): 105–7.