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Differences in the entropy, T SA, (kcal/mol) at T=300 K for different forces, K obtained by HSMC and by integration using eq 23*
| HSMC | Integration | |
|---|---|---|
| T[SA(K=8) - SA(K=20)] | 3.2 (1) | 3.1 (2) |
| T[SA(K=20) - SA(K=40)] | 3.5 (2) | 3.0 (5) |
| T[SA(K=40) - SA(K=100)] | 3.5 (2) | 3.8 (5) |
The statistical error is defined in Table 2.
