Table 2.
Comparison between GROMOS and AMBER parameters for S-nitrosylated cysteine with regards to atomic charges.
| GROMOS | AMBER | |
|---|---|---|
| Atomic charges (S) | 0.1 | −0.0735 |
| Atomic charges (N) | 0.35 | 0.0355 |
| Atomic charges (O) | −0.45 | −0.1522 |
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