[gmx-users] Preparing dual topology for free energy calculation

Tushar Ranjan Moharana tusharranjanmoharana at gmail.com
Mon Apr 11 17:40:48 CEST 2016

Hi everyone,
I want to calculate difference in folding free energy due to certain
mutations. I want to follow the slow growth method as mentioned in:
However I don't know how to prepare dual topology (even after reading
manual, section  5.7.4). I want to use gromos 53a6 force field. Can anyone
tell me how to prepare dual topology. Any link to read or tutorial will be
of great help.

Thanks a lot for the help.

"A society with free knowledge is better than a society with free food"

Tushar Ranjan Moharana
B. Tech, NIT Warangal
Ph D Student, CCMB

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