[gmx-users] new beta release - gromacs-4.5-beta2
ecino at uwo.ca
Wed Aug 4 01:13:33 CEST 2010
Hello. Just writing to say that I tested the implicit solvent in 4.5 beta2. I used CHARMM27 w/ CMAP for a protein dimer simulation. Found mdrun/mdrun_mpi was stable in serial and parallel with 1fs timestep, 2fs caused eventual lincs errors. Let me know if you would like more details of the testing. Thanks for the new release.
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