[gmx-users] an error related to Gromacs version

Mahboobeh Eslami mahboobeh.eslami at yahoo.com
Sun Jun 25 07:36:08 CEST 2017


Hi all GMX usersI did MD simulation by Gromacs 5.1.2 and I want to calculate free energy by GMXPBSA script. This script don't work correctly with Gromacs 5.1.2 so I have to done free energy calculation by Gromacs 5.0.7. If I do this calculation I will get an error related to Gromacs version. Is there any way to solve this problem?Please help me
thanks


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