Re: [gmx-users] gromacs.org_gmx-users Digest, Vol 189, Issue 80, 2. Re: Analysis with .sh file (Li, Shi)

HI Riccardo, in this case, it's the piping that does not work, so gromacs does not get the right "return". An alternative is printf "10\n12\n" Best, Christian On 2020-01-31 09:22, ric.co...@gmail.com wrote: Dear all, This is an example of a line I have been using on Gromacs 5.0.4:" echo

Re: [gmx-users] How to add osmotic stress

Den 2020-02-02 kl. 17:46, skrev Alex Mathew: How to introduce osmotic stress on a simulation system to study the transportation differences in varying conditions.( protein-membrane system) Use a double membrane and different concentrations in the water phases. -- David van der Spoel, Ph.D.,

[gmx-users] How to add osmotic stress

How to introduce osmotic stress on a simulation system to study the transportation differences in varying conditions.( protein-membrane system) -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post?

[gmx-users] Getting a high potential energy error when using some specific gpu options. Gromacs 2019.4

Hi, I am testing a new computer system with single nodes containing four GPU’s, for a membrane containing a peptide with numerous restraints. I have read in the gmx_users list that for this kind of systems maybe the more efficient use of a node is to run several simulations on it so I have