dear all,
i came cross a problem which confuse me for several days. i am studing the bingding of a protein and ligand with MMPBSA.
but i found something is wrong with my result of entropy. i copy a part of my output file here.
# DELTA
# -----------------------
# MEAN STD
# =======================
TSTRA -13.50 0.00
TSROT -11.38 0.02
TSVIB 1.83 8.95
TSTOT -23.05 8.97
i am wondering why the value of TSVIB is positive, and what this means? i think it should be negative just from the
physical intuition. is it means my parameters of ligand is not accurate?
i am very apprciate for any suggestions !
thanks in avdance!
emilia wu
emiliawu.dicp.ac.cn
2006-03-20
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Received on Sun Mar 26 2006 - 06:10:07 PST
