[gmx-users] Pobability of conformational distributions!
xi zhao
zhaoxiitc2002 at yahoo.com.cn
Tue Aug 22 14:34:30 CEST 2006
Dear sirs:
How to calculate the probability of conformational distributions in gromacs by PCA method? I often meet it, but I do not know how to define it! The free energy = -KBTln(probability of conformational distribution).
Thank you for your reply!
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