[gmx-users] Free Energy

Hi all, I have some pdb file of peptides that I wish to do free energy calcuation. Is there any source I can do that? Thanks Regards, William ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please

[gmx-users] Help with Testset

Hi, I have installed Gromacs without error, however, the testset result in: FAILED. Check files in rb1 1 out of 16 simple tests FAILED FAILED. Check files in dec+water 1 out of 14 complex tests FAILED I do not worry about the dec+water, since it is explained in the testset, but I don't know wh

[gmx-users] Testset

Hi, I am a new user of Gromacs. After installation without any error, I run the test set, which appears the following: FAILED. Check files in rb1 1 out of 16 simple tests FAILED FAILED. Check files in dec+water 1 out of 14 complex tests FAILED All 63 kernel tests PASSED All 45 pdb2gmx tests PA