Re: [gmx-users] multiple electric fields

2018-10-30 Thread David van der Spoel
Den 2018-10-28 kl. 00:47, skrev Alex: I would propose you add the constant in the code for now and work with it. If it works well please upload a redmine issues with a feture request. You literally have to add somewhere field = field + c check src/gromacs/applied_forces/electricfield.cpp

Re: [gmx-users] multiple electric fields

2018-10-27 Thread Alex
I would propose you add the constant in the code for now and work with it. If it works well please upload a redmine issues with a feture request. You literally have to add somewhere field = field + c check src/gromacs/applied_forces/electricfield.cpp Thanks for the file location, but this may

Re: [gmx-users] multiple electric fields

2018-10-27 Thread David van der Spoel
Den 2018-10-26 kl. 07:46, skrev Alex: As expected, multiple instances of a given component are not accepted by Gromacs. Is there anything that can be done? Can the functional form be extended to the current form + constant offset? The use scenario is very simple: photosensitive solid-state

Re: [gmx-users] multiple electric fields

2018-10-25 Thread Alex
As expected, multiple instances of a given component are not accepted by Gromacs. Is there anything that can be done? Can the functional form be extended to the current form + constant offset? The use scenario is very simple: photosensitive solid-state ion channels. It is that relatively rare

[gmx-users] multiple electric fields

2018-10-25 Thread Alex
Hi all, Is it possible to have an electric field of the form described here: http://manual.gromacs.org/documentation/2018.1/user-guide/mdp-options.html#mdp-electric-field-x%20;%20electric-field-y%20;%20electric-field-z but with a constant component? In other words, for a given component