[gmx-users] query about identifying representative snapshots from a 2D FEL

R.S.K.Vijayan 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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