Dear Gromacs users, I would like to simulate a protein with pulsed, time-dependent electric field (similiarly to "Picosecond melting of ice..." article).
After taking a look on the mailing list archive, I have set the the E_* parameters according to the manual. Also made some test runs, and checked field.xvg (nice oscillating field but this is not what I really need). I have checked the source (sim_util.c) also, and found the code for time-dependent field, so my question is, where can I set the wavelength, the width, and the t_0 value of the laser pulse in the mdp file? My E_x parameters were: 1 0.03 1 Also tried E_xt (according to http://gromacs.5086.n6.nabble.com/Oscillating-Electrical-Field-tt4430547.html), but no succes. I would appreciate any help, best regards: Norbert Jeszenői -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
