[gmx-users] Free energy calculation of

Batdorj Batsaikhan batsaikhanbat at yahoo.com
Tue Oct 14 09:23:42 CEST 2014

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,


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