[gmx-users] source cord routines for electric fields
David van der Spoel
spoel at xray.bmc.uu.se
Thu Oct 2 08:58:43 CEST 2014
On 2014-10-02 08:01, 米谷慎 wrote:
> Dear Gromacs experts:
> I'd like to add the time-dependent function to the electric field routines
> in GROMACS.
> I could only found the input (reading) codes in src/kernel/readir.c.
> Does anyone know which source cord routines I should modify to add the
> time-dependent functions.
> Thank you for advance.
> Makoto Yoneya, Dr.
> AIST, Tsukuba
look for function calc_f_el
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
More information about the gromacs.org_gmx-users