Hi friends,
I am trying to do MD run by Gromacs and I should prepare my MD files with gromacs5.0 and I don't allow to run final step of MD run on the server. So, I have to run final step with another server that has Gromac4.6 and we couldn't change its version.
Anyone know that I could prepare my MD files with gromacs5.0 and finally MD run by gromacs4.6?
There are features and .mdp keywords in 5.0 that are not in 4.6, so in short, no you can't do this. You can probably build the system (pdb2gmx, editconf, solvate, etc) but you cannot produce a .tpr file for a run using 5.0 that will actually function in 4.6.
Hi Maryam,
I have encountered same problem previously, it is not possible to run like that, you will encounter so many errors, and finally you can not complete the entire process.
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