Forty replicas were constructed over the temperature range from 300K to 500K at intervals of 5K in order to equilibrate the system for REMD and each set of replicas was calculated for 8 µsec (8000 nsec). The results showed that LysoPS(18:1) can occupy a broad conformational space with an extensive distribution of dihedral angles around ±60° and ±180° in both the D1 and D2 axes, whereas the distributions of the cyclic LysoPS analogues were spatially restricted (Figure and Figure ).