[gmx-users] source cord routines for electric fields

[Makoto Yoneya]

Dear David:

Thank a lot for your quick reply.
I'd found the code already includes some time-dependent function.
I'll study how to use it.
Thanks a lot again.

Makoto Yoneya, Dr.
AIST, Tsukuba
JAPAN

>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
>> JAPAN
>>
>mdlib/sim_util.c
>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.