[gmx-users] free energy for ethanol
elham tazikeh
elham.tazikeh at gmail.com
Sat Oct 18 07:38:17 CEST 2014
Dear Justin
i really appriciate for your reply
i trying to follow this tuturial about free energy of ethanol:
*http://www.gromacs.org/@api/deki/files/196/=fe-tutorial-4.6.pdf
<http://www.gromacs.org/@api/deki/files/196/=fe-tutorial-4.6.pdf>*
there was* mklambda.sh* in that tutorial
when i used above command for creating different lambdas:
*sh mklambdas.sh run.mdp topol.top equil.gro*
i will receive this error:
*mklambdas.sh: 12: Syntax error: "(" unexpected*
how can i fix it?
about your tutorial (methane), you said , you must change some sections
i follow your tutorial but received empty files for every lambdas...
could you please send me some tutorials for practicing this issue (Free
Energy Calculation)?
best regards
elham
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