[gmx-users] Fatal Lambda error

Angelina Malagodi 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!

Angelina Malagodi

ERROR 1 [file

  initial thermodynamic state 21 does not exist, only goes to 20

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