[gmx-users] Fatal Lambda error
angelinamalagodi at gmail.com
Fri Feb 8 22:50:28 CET 2019
I am trying to calculate the free energy of curcumin in water. My system
goes from 0- 21 lambdas, but it is not recognizing my final lambda. I am
sure that I have 21 transitions for vdw_lambdas, coul_lambdas,
bounded_lambdas, resistant_lambdas, mass_lambdas, and temperature_lambdas.
I do not understand why the 21st lambda is not being recognized. My job
script, input file, and error are attached. Thank you so much for your
time and help!
ERROR 1 [file
initial thermodynamic state 21 does not exist, only goes to 20
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