[gmx-users] Free energy calculation of

[Batdorj Batsaikhan]

Dear gxm users,

Now I am doing  solvation free energy of a protein, I follow Sander Pronk's tutorial downloaded from Gromacs page. 

1. How do I check system is equilibrated? 

2. I run following command

sh mklambdas.sh run.mdp topol.top equil.gro

I got following error:

mklambdas.sh: 12: mklambdas.sh: Syntax error: "(" unexpected



How can I fix this?


Best regards,

Batsaikhan