[gmx-users] query about identifying representative snapshots from a 2D FEL
biovijayan at gmail.com
Tue Jan 17 18:19:44 CET 2012
Dear Gromacs users
I am interested in identifying the representative snapshots from a 2D Free
energy landscape plot generated using g_sham using the reaction
coordinates obtained from EV1 and EV2 projections.
Can some suggest on how to back trace the coordinates from a 2D FEL and
also the time.
To be more precise i want to carry out an analysis exactly like what has
been reported in Figure 8 of this refereed paper
Your suggestions would be greatly appreciated
Thanking you in advance
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